*HEADER    TRANSFERASE                             11-NOV-09   2WY2
*TITLE     NMR STRUCTURE OF THE IIACHITOBIOSE-IIBCHITOBIOSE PHOSPHORYL
*TITLE    2 TRANSITION STATE COMPLEX OF THE N,N'-DIACETYLCHITOBOISE
*TITLE    3 BRANCE OF THE E. COLI PHOSPHOTRANSFERASE SYSTEM.
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: N\,N'-DIACETYLCHITOBIOSE-SPECIFIC
*COMPND   3  PHOSPHOTRANSFERASE ENZYME IIA COMPONENT;
*COMPND   4 CHAIN: A, B, C;
*COMPND   5 FRAGMENT: RESIDUES 14-116;
*COMPND   6 SYNONYM: IIACHB, PTS SYSTEM
*COMPND   7  N\,N'-DIACETYLCHITOBIOSE-SPECIFIC EIIA COMPONENT,
*COMPND   8  EIIA-CHB, EIII-CHB;
*COMPND   9 EC: 2.7.1.-;
*COMPND  10 ENGINEERED: YES;
*COMPND  11 MUTATION: YES;
*COMPND  12 MOL_ID: 2;
*COMPND  13 MOLECULE: N\,N'-DIACETYLCHITOBIOSE-SPECIFIC
*COMPND  14  PHOSPHOTRANSFERASE ENZYME IIB COMPONENT;
*COMPND  15 CHAIN: D;
*COMPND  16 SYNONYM: IIBCHB, PTS SYSTEM
*COMPND  17  N\,N'-DIACETYLCHITOBIOSE-SPECIFIC EIIB COMPONENT;
*COMPND  18 EC: 2.7.1.69
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
*SOURCE   3 ORGANISM_TAXID: 562;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE   6 MOL_ID: 2;
*SOURCE   7 SYNTHETIC: YES;
*SOURCE   8 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
*SOURCE   9 ORGANISM_TAXID: 562
*KEYWDS    KINASE, PHOSPHOTRANSFERASE SYSTEM, CHITOBIOSE, TRANSFERASE,
*KEYWDS   2 SUGAR TRANSPORT
*EXPDTA    SOLUTION NMR
*AUTHOR    Y.S.SANG,M.CAI,G.M.CLORE
*REVDAT   1   12-NOV-09 2WY2    0




!Experimental restraints for IIAChb-IIBChb complex

!A. NOE DATA

!1 Intermolecular NOE data
assign (resid 9 and name he# and segid a) (resid 84 and name he# and segid d) 3.0 1.2 1.5

assign (resid 68  and name HE# and segid C ) (resid 18 and name  HD# and segid D )  2.5  0.7  1.2 
assign (resid 68  and name HE# and segid C ) (resid 18 and name  HG and segid D )  4.0  2.2  1.2
assign (resid 68  and name HG# and segid C ) (resid 18 and name  HD# and segid D )  4.0  2.2  1.2

assign (resid 68  and name HE# and segid C ) (resid 87 and name  HG1# and segid D )  3.0 2.2 1.5 
assign (resid 68  and name HE# and segid C ) (resid 87 and name  HG2# and segid D )  4.0 2.2 1.5
assign (resid 68  and name HE# and segid C ) (resid 87 and name  HB and segid D )  4.0  2.2  1.5

assign ((resid 68  and name HE# and segid C) or (resid 9 and name he# and segid A) )
     (resid 19 and name  HD1# and segid D )  5.0  3.2  1.5
assign ((resid 68  and name HE# and segid C ) or (resid 9 and name he# and segid A) )
     (resid 19 and name  HD2# and segid D )  4.0  2.2  1.5


assign (resid  12 and name HD1# and segid A  ) (resid 12 and name  HB# and segid D )  4.0  2.2  2.0 
assign (resid  12 and name HD1# and segid A  ) (resid 11 and name  HB# and segid D )  5.0  3.2  1.5 
assign (resid 12 and name HD1# and segid A ) (resid 14  and (name HB# or name HG#) and segid D )  5.0  2.2  1.5
assign (resid 12 and name HD1# and segid A ) (resid 14  and name HE# and segid D )  5.0  3.2  2.0


assign (resid  13 and name HD1# and  segid A ) (resid 11 and ( name HA or name HB#) and segid D )  3.0  1.2  1.0
assign (resid  13 and name HD1# and  segid A ) (resid 60 and  name HG2#  and segid D )  3.0  1.2  1.5
assign (resid  13 and name HD1# and  segid A ) ( resid 62 and name  HE#  and segid D )  3.0  1.2  1.0 
assign (resid  13 and name HD1# and  segid A ) ( resid 62 and  name HD# and segid D )  4.0  2.2  2.5

assign (resid  73 and name HG1# and (segid A) ) (resid 14 and name  HE# and segid D )  4.0  2.2  2.0 
assign (resid  73 and name HG2# and (segid A) ) (resid 14 and name  HE# and segid D )  4.0  2.2  2.5
assign (resid  73 and name HG1# and (segid A) ) (resid 14 and name  HG# and segid D )  5.0  3.2  1.5 
assign (resid  73 and name HG2# and (segid A) ) (resid 14 and name  HG# and segid D )  5.0  3.2  2.5
assign (resid  73 and name HG# and (segid A ) ) (resid 15 and name  HB# and segid D )  5.0  3.2  1.5
assign (resid  73 and name HG1# and (segid A) ) (resid 15 and name  HA and segid D )  4.0  2.2  2.5
assign (resid  73 and name HN and (segid A ) ) (resid 14 and name  HE# and segid D )  5.0  3.2  1.5

assign (resid 59 and name HD1# and segid C ) (resid 13 and name  HA# and segid D )  4.0  2.2  1.5
assign (resid 59 and name HD1# and segid C ) (resid 14 and name  HE# and segid D )  4.0 2.2 2.0 
assign (resid 59 and name HD1# and segid C ) (resid 14 and name   HA and segid D )  3.0  1.2  1.0
assign (resid 59 and name HD1# and segid C ) (resid 14 and (name  HG# or name HB#) and segid D )  3.0  1.2  1.5
assign (resid 59 and name HD1# and segid C ) (resid 17 and (name  HA or name HB#) and segid D )  5.0  3.2  1.5

assign (resid 70 and name  HG*  and segid C ) (resid 14 and name  HE# and segid D )  3.0  1.2  1.5 
assign (resid 70 and name  HN  and segid  C ) (resid 14 and name  HE# and segid D )  5.0  3.2  1.5
assign (resid 71 and name  HN  and segid  C ) (resid 14 and name  HE# and segid D )  5.0  3.2  1.5

assign (resid 74 and name HD1# and segid C  ) (resid 14 and name  HE# and segid D )  3.0  1.2  1.5 
assign (resid 74 and name HD2# and segid C  ) (resid 14 and name  HE# and segid D )  3.0  1.2  1.5
assign (resid 74 and name HD1# and segid C  ) (resid 14 and name  HG# and segid D )  5.0  3.2  1.5
assign (resid 74 and name HD2# and segid C  ) (resid 14 and name  HG# and segid D )  4.0  2.2  1.5
assign (resid 75 and name HG1# and segid C ) (resid 14 and name   HE# and segid D )  4.0 2.2 2.0 
assign (resid 75 and name HG2# and segid C ) (resid 14 and name   HE# and segid D )  5.0  3.2  1.5
assign (resid 75 and name  HN  and segid  C ) (resid 14 and name  HE# and segid D )  5.0  3.2  1.5
assign (resid 78 and name  HE2#  and segid  C ) (resid 14 and name  HE# and segid D )  4.0  2.2  2.0


!2. Intramolecular NOE data related to active site loop of IIBChb


assign (resid   8 and name   HG and segid D) (resid   9 and name   HN and segid D )  4.0  2.2  2.0 
assign (resid   8 and name   HA and segid D) (resid   9 and name  HD# and segid D )  5.0  3.2  2.0 
assign (resid   8 and name  HB# and segid D) (resid   9 and name   HN and segid D )  3.0  1.2  1.0 

assign (resid   9 and name  HD# and segid D) (resid   9 and name  HE# and segid D )  3.0  1.2  1.0 
assign (resid   9 and name  HD# and segid D) (resid   9 and name   HZ and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HD# and segid D) (resid   9 and name   HN and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HD# and segid D) (resid   9 and name   HA and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HB# and segid D) (resid   9 and name   HN and segid D )  5.0  3.2  2.0 
assign (resid   9 and name   HA and segid D) (resid   9 and name  HE# and segid D )  5.0  3.2  2.0 
assign (resid   9 and name   HA and segid D) (resid   9 and name   HN and segid D )  4.0  2.2  2.0 
assign (resid   9 and name  HD# and segid D) (resid  10 and name   HN and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HB# and segid D) (resid  10 and name   HN and segid D )  5.0  3.2  2.0 
assign (resid   9 and name   HA and segid D) (resid  10 and name   HN and segid D )  3.0  1.2  1.0 
assign (resid   9 and name   HA and segid D) (resid  38 and name   HA and segid D )  5.0  3.2  2.0 
assign (resid   9 and name   HA and segid D) (resid  38 and name  HB# and segid D )  4.0  2.2  2.0 
assign (resid   9 and name  HD# and segid D) (resid  39 and name  HB# and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HD# and segid D) (resid  39 and name   HN and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HE# and segid D) (resid  39 and name  HB# and segid D )  5.0  3.2  2.0 
assign (resid   9 and name   HA and segid D) (resid  39 and name   HN and segid D )  4.0  2.2  2.0 
assign (resid   9 and name  HD# and segid D) (resid  41 and name  HB# and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HD# and segid D) (resid  41 and name   HA and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HB# and segid D) (resid  41 and name  HB# and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HB# and segid D) (resid  41 and name   HA and segid D )  4.0  2.2  1.5 
assign (resid   9 and name   HA and segid D) (resid  41 and name   HA and segid D )  4.0  2.2  1.5 
assign (resid   9 and name  HE# and segid D) (resid  43 and name  HB# and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HE# and segid D) (resid  44 and name  HB# and segid D )  5.0  3.2  2.5 
assign (resid   9 and name   HZ and segid D) (resid  44 and name  HB# and segid D )  5.0  3.2  2.5 
assign (resid   9 and name  HE# and segid D) (resid  47 and name   HN and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HE# and segid D) (resid  47 and name  HB# and segid D )  5.0  3.2  2.0 
assign (resid   9 and name   HZ and segid D) (resid  47 and name  HB# and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HE# and segid D) (resid  48 and name   HN and segid D )  5.0  3.2  2.0 
assign (resid   9 and name   HZ and segid D) (resid  48 and name   HN and segid D )  5.0  3.2  2.0 
assign (resid   9 and name   HZ and segid D) (resid  48 and name  HA# and segid D )  5.0  3.2  2.0 
assign (resid   9 and name  HD# and segid D) (resid  54 and name  HG* and segid D )  3.0  1.2  1.5 
assign (resid   9 and name  HE# and segid D) (resid  54 and name  HG* and segid D )  4.0  2.2  2.0 
assign (resid   9 and name   HZ and segid D) (resid  54 and name  HG* and segid D )  5.0  3.2  2.5 
assign (resid   9 and name  HD# and segid D) (resid  56 and name  HD* and segid D )  4.0  2.2  2.0 
assign (resid   9 and name  HE# and segid D) (resid  56 and name  HD* and segid D )  5.0  3.2  2.5 
assign (resid   9 and name  HB# and segid D) (resid  56 and name  HD* and segid D )  4.0  2.2  2.0 
assign (resid   9 and name   HA and segid D) (resid  56 and name  HD* and segid D )  4.0  2.2  2.0 
assign (resid   9 and name  HB# and segid D) (resid  60 and name HD1# and segid D )  3.0  1.2  1.5 
assign (resid   9 and name   HN and segid D) (resid  60 and name HD1# and segid D )  5.0  3.2  2.5 
assign (resid   9 and name   HA and segid D) (resid  60 and name HD1# and segid D )  4.0  2.2  2.0 


assign (resid  10 and name  HB# and segid D) (resid  11 and name   HN and segid D )  3.0  1.2  1.0 
assign (resid  10 and name  HB# and segid D) (resid  12 and name   HN and segid D )  5.0  3.2  2.0 
assign (resid  10 and name  HB# and segid D) (resid  16 and name   HB and segid D )  5.0  3.2  2.0 
assign (resid  10 and name  HB# and segid D) (resid  16 and name HG2# and segid D )  3.0  1.2  1.5 
assign (resid  10 and name  HB# and segid D) (resid  38 and name  HB# and segid D )  4.0  2.2  2.0 

assign (resid  11 and name  HB# and segid D) (resid  11 and name   HN and segid D )  5.0  3.2  2.0 
assign (resid  11 and name  HB# and segid D) (resid  11 and name   HA and segid D )  3.0  1.2  1.0 
assign (resid  11 and name  HB# and segid D) (resid  41 and name  HG# and segid D )  5.0  3.2  2.0 
assign (resid  11 and name  HB# and segid D) (resid  41 and name  HB# and segid D )  5.0  3.2  2.0 
assign (resid  11 and name  HB# and segid D) (resid  60 and name HG2# and segid D )  4.0  2.2  2.0 
assign (resid  11 and name   HN and segid D) (resid  60 and name HG2# and segid D )  5.0  3.2  2.5 

assign (resid  12 and name  HB# and segid D) (resid  12 and name   HN and segid D )  3.0  1.2  1.5 
assign (resid  12 and name  HB# and segid D) (resid  13 and name   HN and segid D )  4.0  2.2  2.5 
assign (resid  12 and name  HB# and segid D) (resid  14 and name  HG# and segid D )  4.0  2.2  2.0 


assign (resid  13 and name  HA# and segid D) (resid  13 and name   HN and segid D )  4.0  2.2  2.0 

assign (resid  14 and name  HB# and segid D) (resid  15 and name  HB# and segid D )  5.0  3.2  2.0 
assign (resid  14 and name  HG# and segid D) (resid  15 and name   HA and segid D )  5.0  3.2  2.0 


assign (resid   9 and name   HN and segid D) (resid  10 and name   HN and segid D )  4.0  2.2  1.0 
assign (resid   9 and name  HD# and segid D) (resid  10 and name   HN and segid D )  4.0  2.2  2.0 
assign (resid   9 and name   HN and segid D) (resid  55 and name   HN and segid D )  4.0  2.2  2.0 
assign (resid   9 and name   HN and segid D) (resid  57 and name   HN and segid D )  3.0  1.2  1.5 

assign (resid  10 and name   HN and segid D) (resid  13 and name   HN and segid D )  5.0  3.2  2.5 
assign (resid  10 and name   HN and segid D) (resid  39 and name   HN and segid D )  3.0  1.2  1.5 
assign (resid  10 and name   HN and segid D) (resid  41 and name   HN and segid D )  3.0  1.2  1.5 
assign (resid  10 and name   HN and segid D) (resid  43 and name   HN and segid D )  5.0  3.2  2.5 
assign (resid  10 and name   HN and segid D) (resid  44 and name   HN and segid D )  5.0  3.2  2.5 

assign (resid  11 and name   HN and segid D) (resid  12 and name   HN and segid D )  4.0  2.2  2.0 

assign (resid  12 and name   HN and segid D) (resid  13 and name   HN and segid D )  5.0  3.2  2.5 
assign (resid  12 and name   HN and segid D) (resid  14 and name   HN and segid D )  4.0  2.2  2.0 
assign (resid  12 and name   HN and segid D) (resid  16 and name   HN and segid D )  5.0  3.2  2.5 
assign (resid  12 and name   HN and segid D) (resid  41 and name   HN and segid D )  5.0  3.2  2.5 

assign (resid  14 and name   HN and segid D) (resid  16 and name   HN and segid D )  4.0  2.2  1.0 
assign (resid  14 and name   HN and segid D) (resid  17 and name   HN and segid D )  5.0  3.2  2.5 

assign (resid  15 and name   HN and segid D) (resid  16 and name   HN and segid D )  5.0  3.2  2.5 

assign (resid  16 and name   HN and segid D) (resid  17 and name   HN and segid D )  3.0  1.2  1.5 







B. Torsion angle restraints for unphosphorylated complex.

!1. IIA  (just listed for subunit A, but identical for subunits B and C)

! IIA Backbone Phi & Psi angles for mobile loop

assign (resid 59 and name C  and segid A) (resid 60 and name N  and segid A)
       (resid 60 and name CA and segid A) (resid 60 and name C  and segid A)  1.0   -65.0  20.0  2
assign (resid 60 and name N  and segid A) (resid 60 and name CA and segid A)
       (resid 60 and name C  and segid A) (resid 61 and name N  and segid A)  1.0   -40.0  30.0  2


assign (resid 61 and name C  and segid A) (resid 62 and name N  and segid A)
       (resid 62 and name CA and segid A) (resid 62 and name C  and segid A)  1.0   -60.0  30.0  2

assign (resid 62 and name C  and segid A) (resid 63 and name N  and segid A)
       (resid 63 and name CA and segid A) (resid 63 and name C  and segid A)  1.0   -100.0  60.0  2

assign (resid 63 and name C  and segid A) (resid 64 and name N  and segid A)
       (resid 64 and name CA and segid A) (resid 64 and name C  and segid A)  1.0   90.0  40.0  2

assign (resid 64 and name C  and segid A) (resid 65 and name N  and segid A)
       (resid 65 and name CA and segid A) (resid 65 and name C  and segid A)  1.0   -90.0  50.0  2

assign (resid 65 and name C  and segid A) (resid 66 and name N  and segid A)
       (resid 66 and name CA and segid A) (resid 66 and name C  and segid A)  1.0    -90.0  80.0  2

assign (resid 66 and name C  and segid A) (resid 67 and name N  and segid A)
       (resid 67 and name CA and segid A) (resid 67 and name C  and segid A)  1.0   -60.0  30.0  2

assign (resid 67 and name C  and segid A) (resid 68 and name N  and segid A)
       (resid 68 and name CA and segid A) (resid 68 and name C  and segid A)  1.0  -75.0  30.0  2
assign (resid 68 and name N  and segid A) (resid 68 and name CA and segid A)
       (resid 68 and name C  and segid A) (resid 69 and name N  and segid A)  1.0   -25.0  30.0  2

assign (resid 68 and name C  and segid A) (resid 69 and name N  and segid A)
       (resid 69 and name CA and segid A) (resid 69 and name C  and segid A)  1.0   -80.0  40.0  2

assign (resid 69 and name C  and segid A) (resid 70 and name N  and segid A)
       (resid 70 and name CA and segid A) (resid 70 and name C  and segid A)  1.0  -130.0  30.0  2
assign (resid 70 and name N  and segid A) (resid 70 and name CA and segid A)
       (resid 70 and name C  and segid A) (resid 71 and name N  and segid A)  1.0   165.0  30.0  2

assign (resid 70 and name C  and segid A) (resid 71 and name N  and segid A)
       (resid 71 and name CA and segid A) (resid 71 and name C  and segid A)  1.0  -90.0  30.0  2
assign (resid 71 and name N  and segid A) (resid 71 and name CA and segid A)
       (resid 71 and name C  and segid A) (resid 72 and name N  and segid A)  1.0   140.0  30.0  2

assign (resid 71 and name C  and segid A) (resid 72 and name N  and segid A)
       (resid 72 and name CA and segid A) (resid 72 and name C  and segid A) 1.0 -60.0 20.0 2
assign (resid 72 and name N  and segid A) (resid 72 and name CA and segid A)
       (resid 72 and name C  and segid A) (resid 73 and name N  and segid A) 1.0 -40.0 20.0 2

assign (resid 72 and name C  and segid A) (resid 73 and name N  and segid A)
       (resid 73 and name CA and segid A) (resid 73 and name C  and segid A) 1.0 -60.0 20.0 2
assign (resid 73 and name N  and segid A) (resid 73 and name CA and segid A)
       (resid 73 and name C  and segid A) (resid 74 and name N  and segid A) 1.0 -40.0 20.0 2

assign (resid 73 and name C  and segid A) (resid 74 and name N  and segid A)
       (resid 74 and name CA and segid A) (resid 74 and name C  and segid A) 1.0 -60.0 20.0 2
assign (resid 74 and name N  and segid A) (resid 74 and name CA and segid A)
       (resid 74 and name C  and segid A) (resid 75 and name N  and segid A) 1.0 -40.0 20.0 2

assign (resid 74 and name C  and segid A) (resid 75 and name N  and segid A)
       (resid 75 and name CA and segid A) (resid 75 and name C  and segid A) 1.0 -60.0 20.0 2
assign (resid 75 and name N  and segid A) (resid 75 and name CA and segid A)
       (resid 75 and name C  and segid A) (resid 76 and name N  and segid A) 1.0 -30.0 20.0 2

assign (resid 75 and name C  and segid A) (resid 76 and name N  and segid A)
       (resid 76 and name CA and segid A) (resid 76 and name C  and segid A) 1.0 -60.0 20.0 2
assign (resid 76 and name N  and segid A) (resid 76 and name CA and segid A)
       (resid 76 and name C  and segid A) (resid 77 and name N  and segid A) 1.0 -30.0 20.0 2

assign (resid 76 and name C  and segid A) (resid 77 and name N  and segid A)
       (resid 77 and name CA and segid A) (resid 77 and name C  and segid A) 1.0 -60.0 20.0 2
assign (resid 77 and name N  and segid A) (resid 77 and name CA and segid A)
       (resid 77 and name C  and segid A) (resid 78 and name N  and segid A) 1.0 -30.0 20.0 2



!!! Interfacial sidechain torsion angles

!E5
assign (resid 5 and name n and segid A)  (resid 5 and name ca and segid A)
       (resid 5 and name cb and segid A) (resid 5 and name cg and segid A) 1.0 -120.0 80.0 2

!E6
assign (resid 6 and name n and segid A)  (resid 6 and name ca and segid A)
       (resid 6 and name cb and segid A) (resid 6 and name cg and segid A) 1.0 -120.0 80.0 2

!V8
assign (resid 8 and name n and segid A)  (resid 8 and name ca and segid A)
       (resid 8 and name cb and segid A) (resid 8 and name cg1 and segid A) 1.0 180.0 25.0 2

!M9
assign (resid 9 and name n and segid A)  (resid 9 and name ca and segid A)
       (resid 9 and name cb and segid A) (resid 9 and name cg and segid A) 1.0 -60.0 25.0 2
assign (resid 9 and name ca and segid A) (resid 9 and name cb and segid A)
       (resid 9 and name cg and segid A) (resid 9 and name sd  and segid A) 1.0 180.0 25.0 2



!I12
assign (resid 12 and name n and segid A)  (resid 12 and name ca and segid A)
       (resid 12 and name cb and segid A) (resid 12 and name cg1 and segid A) 1.0 -60.0 20.0 2
assign (resid 12 and name ca and segid A) (resid 12 and name cb and segid A)
       (resid 12 and name cg1 and segid A) (resid 12 and name cd1 and segid A) 1.0 -60.0 25.0 2

!I13
assign (resid 13 and name n and segid A)  (resid 13 and name ca and segid A)
       (resid 13 and name cb and segid A) (resid 13 and name cg1 and segid A) 1.0 -60.0 35.0 2
assign (resid 13 and name ca and segid A) (resid 13 and name cb and segid A)
       (resid 13 and name cg1 and segid A) (resid 13 and name cd1 and segid A) 1.0 -60.0 35.0 2

!S15
assign (resid 15 and name n and segid A)  (resid 15 and name ca and segid A)
       (resid 15 and name cb and segid A) (resid 15 and name og and segid A) 1.0  60.0 20.0 2

!Q17
assign (resid 17 and name n and segid A)  (resid 17 and name ca and segid A)
       (resid 17 and name cb and segid A) (resid 17 and name cg and segid A) 1.0 -120.0 80.0 2


!R19
assign (resid 19 and name n and segid A)  (resid 19 and name ca and segid A)
       (resid 19 and name cb and segid A) (resid 19 and name cg and segid A) 1.0 180.0 25.0 2


!S20
assign (resid 20 and name n and segid A)  (resid 20 and name ca and segid A)
       (resid 20 and name cb and segid A) (resid 20 and name og and segid A) 1.0  180.0 20.0 2

!L21
assign (resid 21 and name n and segid A)  (resid 21 and name ca and segid A)
       (resid 21 and name cb and segid A) (resid 21 and name cg and segid A) 1.0 -60.0 20.0 2
assign (resid 21 and name ca and segid A) (resid 21 and name cb and segid A)
       (resid 21 and name cg and segid A) (resid 21 and name cd1 and segid A) 1.0 180.0 25.0 2

!Y23
assign (resid 23 and name n and segid A)  (resid 23 and name ca and segid A)
       (resid 23 and name cb and segid A) (resid 23 and name cg and segid A) 1.0 180.0 20.0 2
assign (resid 23 and name ca and segid A) (resid 23 and name cb and segid A)
       (resid 23 and name cg and segid A) (resid 23 and name cd1 and segid A) 1.0 90.0 20.0 2

!Q28
assign (resid 28 and name n and segid A)  (resid 28 and name ca and segid A)
       (resid 28 and name cb and segid A) (resid 28 and name cg and segid A) 1.0 -60.0 25.0 2


!R45
assign (resid 45 and name n and segid A)  (resid 45 and name ca and segid A)
       (resid 45 and name cb and segid A) (resid 45 and name cg and segid A) 1.0 180.0 25.0 2
!       (resid 45 and name cd and segid A) (resid 45 and name ne  and segid A) 1.0 60.0 40.0 2

!M46
assign (resid 46 and name n and segid A)  (resid 46 and name ca and segid A)
       (resid 46 and name cb and segid A) (resid 46 and name cg and segid A) 1.0 -60.0 25.0 2
assign (resid 46 and name ca and segid A) (resid 46 and name cb and segid A)
       (resid 46 and name cg and segid A) (resid 46 and name sd  and segid A) 1.0 180.0 25.0 2

!N49
assign (resid 49 and name n and segid A)  (resid 49 and name ca and segid A)
       (resid 49 and name cb and segid A) (resid 49 and name cg and segid A) 1.0 180.0 20.0 2

!H52
assign (resid 52 and name n and segid A)  (resid 52 and name ca and segid A)
       (resid 52 and name cb and segid A) (resid 52 and name cg and segid A) 1.0 180.0 20.0 2
assign (resid 52 and name ca and segid A)  (resid 52 and name cb and segid A)
       (resid 52 and name cg and segid A) (resid 52 and name ND1 and segid A) 1.0 -80.0 20.0 2

!L53
assign (resid 53 and name n and segid A)  (resid 53 and name ca and segid A)
       (resid 53 and name cb and segid A) (resid 53 and name cg and segid A) 1.0 -60.0 20.0 2
assign (resid 53 and name ca and segid A) (resid 53 and name cb and segid A)
       (resid 53 and name cg and segid A) (resid 53 and name cd1 and segid A) 1.0 180.0 20.0 2


!T56
assign (resid 56 and name n and segid A)  (resid 56 and name ca and segid A)
       (resid 56 and name cb and segid A) (resid 56 and name og1 and segid A) 1.0  -60.0 20.0 2
!K57
assign (resid 57 and name n and segid A)  (resid 57 and name ca and segid A)
       (resid 57 and name cb and segid A) (resid 57 and name cg and segid A) 1.0 180.0 25.0 2


!I59
assign (resid 59 and name n and segid A)  (resid 59 and name ca and segid A)
       (resid 59 and name cb and segid A) (resid 59 and name cg1 and segid A) 1.0 180.0 30.0 2
assign (resid 59 and name ca and segid A) (resid 59 and name cb and segid A)
       (resid 59 and name cg1 and segid A) (resid 59 and name cd1 and segid A) 1.0 180.0 20.0 2

!E60
assign (resid 60 and name n and segid A)  (resid 60 and name ca and segid A)
       (resid 60 and name cb and segid A) (resid 60 and name cg and segid A) 1.0 120.0 85.0 2

!!D62
assign (resid 62 and name n and segid A)  (resid 62 and name ca and segid A)
       (resid 62 and name cb and segid A) (resid 62 and name cg and segid A) 1.0 120.0 80.0 2
!Q65
assign (resid 65 and name n and segid A)  (resid 65 and name ca and segid A)
       (resid 65 and name cb and segid A) (resid 65 and name cg and segid A) 1.0 -60.0 20.0 2

!K67
assign (resid 67 and name n and segid A)  (resid 67 and name ca and segid A)
       (resid 67 and name cb and segid A) (resid 67 and name cg and segid A) 1.0 0.0 85.0 2

!M68
assign (resid 68 and name n and segid A)  (resid 68 and name ca and segid A)
       (resid 68 and name cb and segid A) (resid 68 and name cg and segid A) 1.0 -60.0 20.0 2

!V70
assign (resid 70 and name n and segid A)  (resid 70 and name ca and segid A)
       (resid 70 and name cb and segid A) (resid 70 and name cg1 and segid A) 1.0 -60.0 20.0 2
!S71
assign (resid 71 and name n and segid A)  (resid 71 and name ca and segid A)
       (resid 71 and name cb and segid A) (resid 71 and name og and segid A) 1.0 180.0 20.0 2

!L72
assign (resid 72 and name n and segid A)  (resid 72 and name ca and segid A)
       (resid 72 and name cb and segid A) (resid 72 and name cg and segid A) 1.0 -60.0 20.0 2
assign (resid 72 and name ca and segid A) (resid 72 and name cb and segid A)
       (resid 72 and name cg and segid A) (resid 72 and name cd1 and segid A) 1.0 180.0 20.0 2

!V73
assign (resid 73 and name n and segid A)  (resid 73 and name ca and segid A)
       (resid 73 and name cb and segid A) (resid 73 and name cg1 and segid A) 1.0 -60.0 20.0 2

!L74
assign (resid 74 and name n and segid A)  (resid 74 and name ca and segid A)
       (resid 74 and name cb and segid A) (resid 74 and name cg and segid A) 1.0 180.0 20.0 2
assign (resid 74 and name ca and segid A) (resid 74 and name cb and segid A)
       (resid 74 and name cg and segid A) (resid 74 and name cd1 and segid A) 1.0 60.0 20.0 2

!V75
assign (resid 75 and name n and segid A)  (resid 75 and name ca and segid A)
       (resid 75 and name cb and segid A) (resid 75 and name cg1 and segid A) 1.0 180.0 20.0 2

!E76
assign (resid 76 and name n and segid A)  (resid 76 and name ca and segid A)
       (resid 76 and name cb and segid A) (resid 76 and name cg and segid A) 1.0 180.0 30.0 2
assign (resid 76 and name ca and segid A) (resid 76 and name cb and segid A)
       (resid 76 and name cg and segid A) (resid 76 and name cd and segid A) 1.0 120.0 80.0 2

assign (resid 76 and name cb and segid A) (resid 76 and name cg and segid A)
       (resid 76 and name cd and segid A) (resid 76 and name oe1 and segid A) 1.0 0.0 90.0 2
 
!Q78
assign (resid 78 and name n and segid A)  (resid 78 and name ca and segid A)
       (resid 78 and name cb and segid A) (resid 78 and name cg and segid A) 1.0 180.0 20.0 2
assign (resid 78 and name ca and segid A) (resid 78 and name cb and segid A)
       (resid 78 and name cg and segid A) (resid 78 and name cd and segid A) 1.0 180.0 20.0 2

!L79
assign (resid 79 and name n and segid A)  (resid 79 and name ca and segid A)
       (resid 79 and name cb and segid A) (resid 79 and name cg and segid A) 1.0 180.0 20.0 2
assign (resid 79 and name ca and segid A) (resid 79 and name cb and segid A)
       (resid 79 and name cg and segid A) (resid 79 and name cd1 and segid A) 1.0 60.0 20.0 2

!H80
assign (resid 80 and name n and segid A)  (resid 80 and name ca and segid A)
       (resid 80 and name cb and segid A) (resid 80 and name cg and segid A) 1.0 -60.0 30.0 2
assign (resid 80 and name ca and segid A) (resid 80 and name cb and segid A)
       (resid 80 and name cg and segid A) (resid 80 and name nd1 and segid A) 1.0 -120.0 50.0 2

!M85
assign (resid 85 and name n and segid A)  (resid 85 and name ca and segid A)
       (resid 85 and name cb and segid A) (resid 85 and name cg and segid A) 1.0 180.0 20.0 2
assign (resid 85 and name ca and segid A) (resid 85 and name cb and segid A)
       (resid 85 and name cg and segid A) (resid 85 and name sd and segid A) 1.0 180.0 20.0 2



!2. IIB


!!! IIB 

!active site phi/psi

assign (resid   8 and name C  and segid D)  (resid  9 and name N  and segid D)
       (resid   9  and name CA and segid D) (resid  9 and name C  and segid D)  1.0  -130.0  30.0  2
assign (resid   9  and name N  and segid D) (resid  9 and name CA and segid D)
       (resid   9  and name C  and segid D) (resid 10 and name N  and segid D)  1.0   160.0  40.0  2

assign (resid   9 and name C  and segid D) (resid  10 and name N  and segid D)
       (resid  10 and name CA and segid D) (resid  10 and name C  and segid D)  1.0  -125.0  50.0  2
assign (resid  10 and name N  and segid D) (resid  10 and name CA and segid D)
       (resid  10 and name C  and segid D) (resid  11 and name N  and segid D)  1.0   130.0  20.0  2

assign (resid  10 and name C  and segid D) (resid  11 and name N  and segid D)
       (resid  11 and name CA and segid D) (resid  11 and name C  and segid D)  1.0 -100.0 50.0 2 
assign (resid  11 and name N  and segid D) (resid  11 and name CA and segid D)
       (resid  11 and name C  and segid D) (resid  12 and name N  and segid D)  1.0   90.0 100.0 2 

assign (resid  11 and name C  and segid D) (resid  12 and name N  and segid D)
       (resid  12 and name CA and segid D) (resid  12 and name C  and segid D)  1.0   -110.0  60.0  2
assign (resid  12 and name N  and segid D) (resid  12 and name CA and segid D)
       (resid  12 and name C  and segid D) (resid  13 and name N  and segid D)  1.0    90.0 100.0 2 

assign (resid  12 and name C  and segid D) (resid  13 and name N  and segid D)
       (resid  13 and name CA and segid D) (resid  13 and name C  and segid D)  1.0   -110.0 70.0 2

assign (resid  13 and name C  and segid D) (resid  14 and name N  and segid D)
       (resid  14 and name CA and segid D) (resid  14 and name C  and segid D)  1.0   -80.0 40.0 2 
assign (resid  14 and name N  and segid D) (resid  14 and name CA and segid D)
       (resid  14 and name C  and segid D) (resid  15 and name N  and segid D)  1.0   -40.0  30.0  2

assign (resid  14 and name C  and segid D) (resid  15 and name N  and segid D)
       (resid  15 and name CA and segid D) (resid  15 and name C  and segid D)  1.0   -65.0  20.0  2
assign (resid  15 and name N  and segid D) (resid  15 and name CA and segid D)
       (resid  15 and name C  and segid D) (resid  16 and name N  and segid D)  1.0   -40.0  30.0  2

assign (resid  15 and name C  and segid D) (resid  16 and name N  and segid D)  
       (resid  16 and name CA and segid D) (resid  16 and name C  and segid D)  1.0   -65.0   20.0  2
assign (resid  16 and name N  and segid D) (resid  16 and name CA and segid D)  
       (resid  16 and name C  and segid D) (resid  17 and name N  and segid D)  1.0   -45.0   30.0  2

assign (resid  16 and name C  and segid D) (resid  17 and name N  and segid D)
       (resid  17 and name CA and segid D) (resid  17 and name C  and segid D)  1.0   -60.0   20.0  2
assign (resid  17 and name N  and segid D) (resid  17 and name CA and segid D)
       (resid  17 and name C  and segid D) (resid  18 and name N  and segid D)  1.0   -40.0   30.0  2



!side chain
!F9
assign (resid 9 and name n and segid D)  (resid 9 and name ca and segid D)
       (resid 9 and name cb and segid D) (resid 9 and name cg and segid D) 1.0 -60.0 20.0 2
assign (resid 9 and name ca and segid D) (resid 9 and name cb and segid D)
       (resid 9 and name cg and segid D) (resid 9 and name cd1 and segid D) 1.0 -90.0 20.0 2
!S10
assign (resid 10 and name n and segid D)  (resid 10 and name ca and segid D)
      (resid 10 and name cb and segid D) (resid 10 and name og and segid D) 1.0 120.0 90.0 2

!M14
assign (resid 14 and name n and segid D)  (resid 14 and name ca and segid D) 
       (resid 14 and name cb and segid D) (resid 14 and name cg and segid D) 1.0 180.0 20.0 2 

!S15
assign (resid 15 and name n and segid D)  (resid 15 and name ca and segid D)
       (resid 15 and name cb and segid D) (resid 15 and name og and segid D) 1.0 -120.0 90.0 2
!T16
assign (resid 16 and name n and segid D)  (resid 16 and name ca and segid D)
       (resid 16 and name cb and segid D) (resid 16 and name og1 and segid D) 1.0 -60.0 20.0 2


!S17
assign (resid 17 and name n and segid D)  (resid 17 and name ca and segid D)
       (resid 17 and name cb and segid D) (resid 17 and name og and segid D) 1.0 -60.0 20.0 2

!L18
assign (resid 18 and name n and segid D)  (resid 18 and name ca and segid D)
       (resid 18 and name cb and segid D) (resid 18 and name cg and segid D) 1.0 180.0 20.0 2
assign (resid 18 and name ca and segid D) (resid 18 and name cb and segid D)
       (resid 18 and name cg and segid D) (resid 18 and name cd1 and segid D) 1.0 60.0 20.0 2

!L19
assign (resid 19 and name n and segid D)  (resid 19 and name ca and segid D)
       (resid 19 and name cb and segid D) (resid 19 and name cg and segid D) 1.0 180.0 20.0 2
assign (resid 19 and name ca and segid D) (resid 19 and name cb and segid D)
       (resid 19 and name cg and segid D) (resid 19 and name cd1 and segid D) 1.0 60.0 20.0 2

!V20
assign (resid 20 and name n and segid D)  (resid 20 and name ca and segid D)
       (resid 20 and name cb and segid D) (resid 20 and name cg1 and segid D) 1.0  180.0 20.0 2


!S21
assign (resid 21 and name n and segid D)  (resid 21 and name ca and segid D)
       (resid 21 and name cb and segid D) (resid 21 and name og and segid D) 1.0  60.0 30.0 2

!K22
assign (resid 22 and name n and segid D)  (resid 22 and name ca and segid D)
       (resid 22 and name cb and segid D) (resid 22 and name cg and segid D) 1.0  -120.0 80.0 2

!R24
assign (resid 24 and name n and segid D)  (resid 24 and name ca and segid D)
       (resid 24 and name cb and segid D) (resid 24 and name cg and segid D) 1.0  -120.0 80.0 2


!E37
assign (resid 37 and name n and segid D)  (resid 37 and name ca and segid D)
       (resid 37 and name cb and segid D) (resid 37 and name cg and segid D) 1.0  -60.0 20.0 2

!Y39
assign (resid 39 and name n and segid D)  (resid 39 and name ca and segid D)
       (resid 39 and name cb and segid D) (resid 39 and name cg and segid D) 1.0 -60.0 20.0 2
assign (resid 39 and name ca and segid D) (resid 39 and name cb and segid D)
       (resid 39 and name cg and segid D) (resid 39 and name cd1 and segid D) 1.0 -90.0 20.0 2

!E41
assign (resid 41 and name n and segid D)  (resid 41 and name ca and segid D)
       (resid 41 and name cb and segid D) (resid 41 and name cg and segid D) 1.0  60.0 20.0 2

!T42
assign (resid 42 and name n and segid D)  (resid 42 and name ca and segid D)
       (resid 42 and name cb and segid D) (resid 42 and name og1 and segid D) 1.0 60.0 20.0 2

!L43
assign (resid 43 and name n and segid D)  (resid 43 and name ca and segid D)
       (resid 43 and name cb and segid D) (resid 43 and name cg and segid D) 1.0 -60.0 20.0 2
assign (resid 43 and name ca and segid D) (resid 43 and name cb and segid D)
       (resid 43 and name cg and segid D) (resid 43 and name cd1 and segid D) 1.0 180.0 20.0 2

!E46
assign (resid 46 and name n and segid D)  (resid 46 and name ca and segid D)
       (resid 46 and name cb and segid D) (resid 46 and name cg and segid D) 1.0  -120.0 80.0 2

!K47
assign (resid 47 and name n and segid D)  (resid 47 and name ca and segid D)
       (resid 47 and name cb and segid D) (resid 47 and name cg and segid D) 1.0  -120.0 80.0 2


!Q59
assign (resid 59 and name n and segid D)  (resid 59 and name ca and segid D)
       (resid 59 and name cb and segid D) (resid 59 and name cg and segid D) 1.0  -120.0 80.0 2


!I60
assign (resid 60 and name n and segid D)  (resid 60 and name ca and segid D)
       (resid 60 and name cb and segid D) (resid 60 and name cg1 and segid D) 1.0   60.0 30.0 2
assign (resid 60 and name ca and segid D) (resid 60 and name cb and segid D)
       (resid 60 and name cg1 and segid D) (resid 60 and name cd1 and segid D) 1.0 180.0 40.0 2


!Y62
assign (resid 62 and name n and segid D)  (resid 62 and name ca and segid D)
       (resid 62 and name cb and segid D) (resid 62 and name cg and segid D) 1.0  70.0 20.0 2
assign (resid 62 and name ca and segid D) (resid 62 and name cb and segid D)
       (resid 62 and name cg and segid D) (resid 62 and name cd1 and segid D) 1.0 -90.0 20.0 2

!M63
assign (resid 63 and name n and segid D)  (resid 63 and name ca and segid D)
       (resid 63 and name cb and segid D) (resid 63 and name cg and segid D) 1.0 -60.0 20.0 2
assign (resid 63 and name ca and segid D)  (resid 63 and name cb and segid D)
       (resid 63 and name cg and segid D) (resid 63 and name sd and segid D) 1.0 180.0 20.0 2

!S81
assign (resid 81 and name n and segid D)  (resid 81 and name ca and segid D)
       (resid 81 and name cb and segid D) (resid 81 and name og and segid D) 1.0  60.0 20.0 2

!L82
assign (resid 82 and name n and segid D)  (resid 82 and name ca and segid D)
       (resid 82 and name cb and segid D) (resid 82 and name cg and segid D) 1.0 -60.0 20.0 2
assign (resid 82 and name ca and segid D) (resid 82 and name cb and segid D)
       (resid 82 and name cg and segid D) (resid 82 and name cd1 and segid D) 1.0 180.0 20.0 2


!Y84
assign (resid 84 and name n and segid D)  (resid 84 and name ca and segid D)
       (resid 84 and name cb and segid D) (resid 84 and name cg and segid D) 1.0 180.0  25.0 2
assign (resid 84 and name ca and segid D) (resid 84 and name cb and segid D)
       (resid 84 and name cg and segid D) (resid 84 and name cd1 and segid D) 1.0 -90.0 30.0 2

!K86
assign (resid 86 and name n and segid D)  (resid 86 and name ca and segid D)
       (resid 86 and name cb and segid D) (resid 86 and name cg and segid D) 1.0  -120.0 80.0 2

!V87
assign (resid 87 and name n and segid D)  (resid 87 and name ca and segid D)
       (resid 87 and name cb and segid D) (resid 87 and name cg1 and segid D) 1.0 180.0 30.0 2



C. Torsion angle restraints for phosphoryl transition state

!1. IIA as for unphosphorylated complex except active site His76 (His89 in true numbering of IIBChb)
!H76
assign (resid 76 and name n and segid A)  (resid 76 and name ca and segid A)
       (resid 76 and name cb and segid A) (resid 76 and name cg and segid A) 1.0 180.0 30.0 2

!2. IIB active site loop phi/psi

assign (resid   8 and name C  and segid D)  (resid  9 and name N  and segid D)
       (resid   9  and name CA and segid D) (resid  9 and name C  and segid D)  1.0  -130.0  30.0  2
assign (resid   9  and name N  and segid D) (resid  9 and name CA and segid D)
       (resid   9  and name C  and segid D) (resid 10 and name N  and segid D)  1.0   160.0  40.0  2

assign (resid   9 and name C  and segid D) (resid  10 and name N  and segid D)
       (resid  10 and name CA and segid D) (resid  10 and name C  and segid D)  1.0  -125.0  50.0  2
assign (resid  10 and name N  and segid D) (resid  10 and name CA and segid D)
       (resid  10 and name C  and segid D) (resid  11 and name N  and segid D)  1.0   150.0  50.0  2

assign (resid  10 and name C  and segid D) (resid  11 and name N  and segid D)
       (resid  11 and name CA and segid D) (resid  11 and name C  and segid D)  1.0 -65.0 15.0 2 
assign (resid  11 and name N  and segid D) (resid  11 and name CA and segid D)
       (resid  11 and name C  and segid D) (resid  12 and name N  and segid D)  1.0   -30.0 20.0 2 

assign (resid  11 and name C  and segid D) (resid  12 and name N  and segid D)
       (resid  12 and name CA and segid D) (resid  12 and name C  and segid D)  1.0   -100.0  30.0  2
assign (resid  12 and name N  and segid D) (resid  12 and name CA and segid D)
       (resid  12 and name C  and segid D) (resid  13 and name N  and segid D)  1.0    10.0 50.0 2 

assign (resid  12 and name C  and segid D) (resid  13 and name N  and segid D)
       (resid  13 and name CA and segid D) (resid  13 and name C  and segid D)  1.0   110.0 70.0 2

assign (resid  13 and name C  and segid D) (resid  14 and name N  and segid D)
       (resid  14 and name CA and segid D) (resid  14 and name C  and segid D)  1.0   -95.0 30.0 2 

assign (resid  14 and name C  and segid D) (resid  15 and name N  and segid D)
       (resid  15 and name CA and segid D) (resid  15 and name C  and segid D)  1.0   -65.0  20.0  2
assign (resid  15 and name N  and segid D) (resid  15 and name CA and segid D)
       (resid  15 and name C  and segid D) (resid  16 and name N  and segid D)  1.0   -40.0  20.0  2

assign (resid  15 and name C  and segid D) (resid  16 and name N  and segid D)
       (resid  16 and name CA and segid D) (resid  16 and name C  and segid D)  1.0   -75.0   30.0  2
assign (resid  16 and name N  and segid D) (resid  16 and name CA and segid D)
       (resid  16 and name C  and segid D) (resid  17 and name N  and segid D)  1.0   -30.0   20.0  2

assign (resid  16 and name C  and segid D) (resid  17 and name N  and segid D)
       (resid  17 and name CA and segid D) (resid  17 and name C  and segid D)  1.0   -60.0   20.0  2
assign (resid  17 and name N  and segid D) (resid  17 and name CA and segid D)
       (resid  17 and name C  and segid D) (resid  18 and name N  and segid D)  1.0   -40.0   30.0  2


!3. IIB interfacial side chains: same as for unphosphorylated complex

D. Calpha/Cbeta chemical shift restraints for active site loop in unphosphorylated complex
 
!F9
assign (resid  8 and name c  and segid D) (resid 9 and name n  and segid D)
       (resid  9 and name ca and segid D) (resid 9 and name c  and segid D)
       (resid  10 and name n  and segid D)                            56.19 41.0

! S10
assign (resid  9 and name c  and segid D) (resid  10 and name n  and segid D)
       (resid  10 and name ca and segid D) (resid 10 and name c  and segid D)
       (resid  11 and name n  and segid D)                            57.17 65.0

! S11
assign (resid  10 and name c  and segid D) (resid 11 and name n  and segid D)
       (resid  11 and name ca and segid D) (resid 11 and name c  and segid D)
       (resid  12 and name n  and segid D)                            57.86 63.71

! A12
assign (resid  11 and name c  and segid D) (resid 12 and name n  and segid D)
       (resid  12 and name ca and segid D) (resid 12 and name c  and segid D)
       (resid  13 and name n  and segid D)                            52.41 19.13

! G13
assign (resid  12 and name c  and segid D) (resid 13 and name n  and segid D)
       (resid  13 and name ca and segid D) (resid 13 and name c  and segid D)
       (resid  14 and name n  and segid D)                            46.42 0.0

! M14
assign (resid  13 and name c  and segid D) (resid 14 and name n  and segid D)
       (resid  14 and name ca and segid D) (resid 14 and name c  and segid D)
       (resid  15 and name n  and segid D)                            58.12 32.02

! S15
assign (resid  14 and name c  and segid D) (resid 15 and name n  and segid D)
       (resid  15 and name ca and segid D) (resid 15 and name c  and segid D)
       (resid  16 and name n  and segid D)                            61.53 62.38

! T16
assign (resid  15 and name c  and segid D) (resid 16 and name n  and segid D)
       (resid  16 and name ca and segid D) (resid 16 and name c  and segid D)
       (resid  17 and name n  and segid D)                            65.85 68.55


!E. Calpha/Cbeta chemical shift restraints for active site loop of IIB in transition state
!taken from shifts of free phosphorylated IIBChb

!F9
assign (resid  8 and name c  and segid D) (resid 9 and name n  and segid D)
       (resid  9 and name ca and segid D) (resid 9 and name c  and segid D)
       (resid  10 and name n  and segid D)                           56.25 43.19

! S11
assign (resid  10 and name c  and segid D) (resid 11 and name n  and segid D)
       (resid  11 and name ca and segid D) (resid 11 and name c  and segid D)
       (resid  12 and name n  and segid D)                            63.8 63.2

! A12
assign (resid  11 and name c  and segid D) (resid 12 and name n  and segid D)
       (resid  12 and name ca and segid D) (resid 12 and name c  and segid D)
       (resid  13 and name n  and segid D)                            52.25 19.93

! G13
assign (resid  12 and name c  and segid D) (resid 13 and name n  and segid D)
       (resid  13 and name ca and segid D) (resid 13 and name c  and segid D)
       (resid  14 and name n  and segid D)                            45.16 0.0

! M14
assign (resid  13 and name c  and segid D) (resid 14 and name n  and segid D)
       (resid  14 and name ca and segid D) (resid 14 and name c  and segid D)
       (resid  15 and name n  and segid D)                            56.77 34.43

! S15
assign (resid  14 and name c  and segid D) (resid 15 and name n  and segid D)
       (resid  15 and name ca and segid D) (resid 15 and name c  and segid D)
       (resid  16 and name n  and segid D)                            62.24 62.13

! T16
assign (resid  15 and name c  and segid D) (resid 16 and name n  and segid D)
       (resid  16 and name ca and segid D) (resid 16 and name c  and segid D)
       (resid  17 and name n  and segid D)                            62.30 69.02




!F. RDCs for free IIBChb used in the calculation of the unphoshprylated complex

!1. 100 mM NaCl/10 mg/ml pf1


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   6  and name N and segid D   )
       ( resid   6  and name HN and segid D  )    15.630     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   7  and name N and segid D   )
       ( resid   7  and name HN and segid D  )    23.111     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   8  and name N and segid D   )
       ( resid   8  and name HN and segid D  )    -1.703     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   9  and name N and segid D   )
       ( resid   9  and name HN and segid D  )    -6.082     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  10  and name N and segid D   )
       ( resid  10  and name HN and segid D  )   -10.400     0.700


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  11  and name N and segid D   )
       ( resid  11  and name HN and segid D  )    -9.305     0.700


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  12  and name N and segid D   )
       ( resid  12  and name HN and segid D  )    -8.150     0.700



assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  13  and name N and segid D   )
       ( resid  13  and name HN and segid D  )    -2.980     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  16  and name N and segid D   )
       ( resid  16  and name HN and segid D  )   -24.936     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name N and segid D   )
       ( resid  17  and name HN and segid D  )   -35.093     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  19  and name N and segid D   )
       ( resid  19  and name HN and segid D  )   -36.187     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  20  and name N and segid D   )
       ( resid  20  and name HN and segid D  )   -37.951     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name N and segid D   )
       ( resid  21  and name HN and segid D  )   -34.910     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  22  and name N and segid D   )
       ( resid  22  and name HN and segid D  )   -42.817     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  24  and name N and segid D   )
       ( resid  24  and name HN and segid D  )   -32.964     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  26  and name N and segid D   )
       ( resid  26  and name HN and segid D  )   -39.228     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  28  and name N and segid D   )
       ( resid  28  and name HN and segid D  )   -23.963     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  30  and name N and segid D   )
       ( resid  30  and name HN and segid D  )   -36.005     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  31  and name N and segid D   )
       ( resid  31  and name HN and segid D  )    14.657     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  32  and name N and segid D   )
       ( resid  32  and name HN and segid D  )    20.496     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  34  and name N and segid D   )
       ( resid  34  and name HN and segid D  )    47.804     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  35  and name N and segid D   )
       ( resid  35  and name HN and segid D  )    35.153     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  36  and name N and segid D   )
       ( resid  36  and name HN and segid D  )    15.266     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  37  and name N and segid D   )
       ( resid  37  and name HN and segid D  )    16.786     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  38  and name N and segid D   )
       ( resid  38  and name HN and segid D  )     9.123     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  39  and name N and segid D   )
       ( resid  39  and name HN and segid D  )    -6.568     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  41  and name N and segid D   )
       ( resid  41  and name HN and segid D  )    22.503     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  42  and name N and segid D   )
       ( resid  42  and name HN and segid D  )    42.512     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  43  and name N and segid D   )
       ( resid  43  and name HN and segid D  )    45.006     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  44  and name N and segid D   )
       ( resid  44  and name HN and segid D  )   -21.956     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  47  and name N and segid D   )
       ( resid  47  and name HN and segid D  )   -21.469     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  48  and name N and segid D   )
       ( resid  48  and name HN and segid D  )   -39.836     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  49  and name N and segid D   )
       ( resid  49  and name HN and segid D  )   -23.354     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  50  and name N and segid D   )
       ( resid  50  and name HN and segid D  )    -8.393     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  51  and name N and segid D   )
       ( resid  51  and name HN and segid D  )   -20.314     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  52  and name N and segid D   )
       ( resid  52  and name HN and segid D  )    44.824     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  53  and name N and segid D   )
       ( resid  53  and name HN and segid D  )     8.515     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  54  and name N and segid D   )
       ( resid  54  and name HN and segid D  )    13.441     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  55  and name N and segid D   )
       ( resid  55  and name HN and segid D  )    -6.751     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  56  and name N and segid D   )
       ( resid  56  and name HN and segid D  )    -5.170     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  57  and name N and segid D   )
       ( resid  57  and name HN and segid D  )    -2.554     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  59  and name N and segid D   )
       ( resid  59  and name HN and segid D  )   -10.583     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  60  and name N and segid D   )
       ( resid  60  and name HN and segid D  )   -33.815     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  61  and name N and segid D   )
       ( resid  61  and name HN and segid D  )    48.412     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  62  and name N and segid D   )
       ( resid  62  and name HN and segid D  )    35.944     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  66  and name N and segid D   )
       ( resid  66  and name HN and segid D  )    33.390     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  67  and name N and segid D   )
       ( resid  67  and name HN and segid D  )    21.043     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  68  and name N and segid D   )
       ( resid  68  and name HN and segid D  )    -9.427     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  69  and name N and segid D   )
       ( resid  69  and name HN and segid D  )    -3.710     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  70  and name N and segid D   )
       ( resid  70  and name HN and segid D  )    32.721     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  71  and name N and segid D   )
       ( resid  71  and name HN and segid D  )    -1.764     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  73  and name N and segid D   )
       ( resid  73  and name HN and segid D  )   -14.049     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  76  and name N and segid D   )
       ( resid  76  and name HN and segid D  )    11.495     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  77  and name N and segid D   )
       ( resid  77  and name HN and segid D  )    -3.223     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  78  and name N and segid D   )
       ( resid  78  and name HN and segid D  )    -2.676     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  79  and name N and segid D   )
       ( resid  79  and name HN and segid D  )   -12.225     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  80  and name N and segid D   )
       ( resid  80  and name HN and segid D  )   -40.201     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  81  and name N and segid D   )
       ( resid  81  and name HN and segid D  )    13.198     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  82  and name N and segid D   )
       ( resid  82  and name HN and segid D  )    22.990     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  83  and name N and segid D   )
       ( resid  83  and name HN and segid D  )    36.248     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  84  and name N and segid D   )
       ( resid  84  and name HN and segid D  )    15.205     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  85  and name N and segid D   )
       ( resid  85  and name HN and segid D  )     8.697     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  86  and name N and segid D   )
       ( resid  86  and name HN and segid D  )    35.093     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  88  and name N and segid D   )
       ( resid  88  and name HN and segid D  )   -17.881     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  89  and name N and segid D   )
       ( resid  89  and name HN and segid D  )    46.222     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  90  and name N and segid D   )
       ( resid  90  and name HN and segid D  )    45.736     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  91  and name N and segid D   )
       ( resid  91  and name HN and segid D  )    39.958     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  92  and name N and segid D   )
       ( resid  92  and name HN and segid D  )    41.661     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  94  and name N and segid D   )
       ( resid  94  and name HN and segid D  )    48.716     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  95  and name N and segid D   )
       ( resid  95  and name HN and segid D  )    32.660     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  97  and name N and segid D   )
       ( resid  97  and name HN and segid D  )    53.582     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  98  and name N and segid D   )
       ( resid  98  and name HN and segid D  )    35.336     0.700

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 100  and name N and segid D   )
       ( resid 100  and name HN and segid D  )    45.493     0.700


!2. 400 mM NaCl/17 mg/ml pf1


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   3  and name N and segid D   )
       ( resid   3  and name HN and segid D  )     5.717     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   4  and name N and segid D   )
       ( resid   4  and name HN and segid D  )     2.494     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   5  and name N and segid D   )
       ( resid   5  and name HN and segid D  )     8.575     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   6  and name N and segid D   )
       ( resid   6  and name HN and segid D  )     3.953     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   7  and name N and segid D   )
       ( resid   7  and name HN and segid D  )    12.650     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   8  and name N and segid D   )
       ( resid   8  and name HN and segid D  )     9.549     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   9  and name N and segid D   )
       ( resid   9  and name HN and segid D  )    12.590     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  10  and name N and segid D   )
       ( resid  10  and name HN and segid D  )    10.096     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  11  and name N and segid D   )
       ( resid  11  and name HN and segid D  )     6.386     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  12  and name N and segid D   )
       ( resid  12  and name HN and segid D  )    -1.581     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  13  and name N and segid D   )
       ( resid  13  and name HN and segid D  )    -3.345     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  16  and name N and segid D   )
       ( resid  16  and name HN and segid D  )    -9.062     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  17  and name N and segid D   )
       ( resid  17  and name HN and segid D  )   -10.583     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  18  and name N and segid D   )
       ( resid  18  and name HN and segid D  )   -15.509     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  19  and name N and segid D   )
       ( resid  19  and name HN and segid D  )   -17.333     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  20  and name N and segid D   )
       ( resid  20  and name HN and segid D  )   -14.840     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  21  and name N and segid D   )
       ( resid  21  and name HN and segid D  )   -13.198     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  22  and name N and segid D   )
       ( resid  22  and name HN and segid D  )    -16.143     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  23  and name N and segid D   )
       ( resid  23  and name HN and segid D  )   -16.360     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  24  and name N and segid D   )
       ( resid  24  and name HN and segid D  )   -10.522     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  25  and name N and segid D   )
       ( resid  25  and name HN and segid D  )   -14.779     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  26  and name N and segid D   )
       ( resid  26  and name HN and segid D  )   -16.969     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  27  and name N and segid D   )
       ( resid  27  and name HN and segid D  )   -12.772     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  28  and name N and segid D   )
       ( resid  28  and name HN and segid D  )    -9.244     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  29  and name N and segid D   )
       ( resid  29  and name HN and segid D  )   -16.421     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  30  and name N and segid D   )
       ( resid  30  and name HN and segid D  )   -16.482     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  31  and name N and segid D   )
       ( resid  31  and name HN and segid D  )     7.116     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  32  and name N and segid D   )
       ( resid  32  and name HN and segid D  )     5.778     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  34  and name N and segid D   )
       ( resid  34  and name HN and segid D  )     4.561     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  35  and name N and segid D   )
       ( resid  35  and name HN and segid D  )     7.055     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  36  and name N and segid D   )
       ( resid  36  and name HN and segid D  )     4.926     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  37  and name N and segid D   )
       ( resid  37  and name HN and segid D  )    10.400     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  38  and name N and segid D   )
       ( resid  38  and name HN and segid D  )    11.495     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  39  and name N and segid D   )
       ( resid  39  and name HN and segid D  )    12.650     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  41  and name N and segid D   )
       ( resid  41  and name HN and segid D  )     2.007     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  42  and name N and segid D   )
       ( resid  42  and name HN and segid D  )     8.332     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  43  and name N and segid D   )
       ( resid  43  and name HN and segid D  )     3.284     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  44  and name N and segid D   )
       ( resid  44  and name HN and segid D  )    -9.427     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  47  and name N and segid D   )
       ( resid  47  and name HN and segid D  )    -8.271     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  48  and name N and segid D   )
       ( resid  48  and name HN and segid D  )   -15.691     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  49  and name N and segid D   )
       ( resid  49  and name HN and segid D  )    -2.372     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  50  and name N and segid D   )
       ( resid  50  and name HN and segid D  )    -0.730     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  51  and name N and segid D   )
       ( resid  51  and name HN and segid D  )   -14.657     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  52  and name N and segid D   )
       ( resid  52  and name HN and segid D  )     7.481     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  53  and name N and segid D   )
       ( resid  53  and name HN and segid D  )    15.752     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  54  and name N and segid D   )
       ( resid  54  and name HN and segid D  )    12.042     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  55  and name N and segid D   )
       ( resid  55  and name HN and segid D  )    12.833     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  56  and name N and segid D   )
       ( resid  56  and name HN and segid D  )    10.218     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  57  and name N and segid D   )
       ( resid  57  and name HN and segid D  )     7.542     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  59  and name N and segid D   )
       ( resid  59  and name HN and segid D  )    -2.494     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  60  and name N and segid D   )
       ( resid  60  and name HN and segid D  )   -16.117     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  61  and name N and segid D   )
       ( resid  61  and name HN and segid D  )     4.318     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  62  and name N and segid D   )
       ( resid  62  and name HN and segid D  )     7.359     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  63  and name N and segid D   )
       ( resid  63  and name HN and segid D  )     1.764     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  64  and name N and segid D   )
       ( resid  64  and name HN and segid D  )     5.778     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  66  and name N and segid D   )
       ( resid  66  and name HN and segid D  )     3.771     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  67  and name N and segid D   )
       ( resid  67  and name HN and segid D  )     5.535     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  68  and name N and segid D   )
       ( resid  68  and name HN and segid D  )    -1.095     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  69  and name N and segid D   )
       ( resid  69  and name HN and segid D  )    -3.467     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  70  and name N and segid D   )
       ( resid  70  and name HN and segid D  )     4.501     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  71  and name N and segid D   )
       ( resid  71  and name HN and segid D  )     3.892     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  73  and name N and segid D   )
       ( resid  73  and name HN and segid D  )     6.021     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  76  and name N and segid D   )
       ( resid  76  and name HN and segid D  )    11.373     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  77  and name N and segid D   )
       ( resid  77  and name HN and segid D  )    10.704     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  78  and name N and segid D   )
       ( resid  78  and name HN and segid D  )    13.259     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  79  and name N and segid D   )
       ( resid  79  and name HN and segid D  )     3.163     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  80  and name N and segid D   )
       ( resid  80  and name HN and segid D  )   -13.928     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  81  and name N and segid D   )
       ( resid  81  and name HN and segid D  )     4.501     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  84  and name N and segid D   )
       ( resid  84  and name HN and segid D  )     4.136     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  85  and name N and segid D   )
       ( resid  85  and name HN and segid D  )    10.339     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  86  and name N and segid D   )
       ( resid  86  and name HN and segid D  )    10.826     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  89  and name N and segid D   )
       ( resid  89  and name HN and segid D  )     7.055     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  90  and name N and segid D   )
       ( resid  90  and name HN and segid D  )     4.683     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  91  and name N and segid D   )
       ( resid  91  and name HN and segid D  )     5.656     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  92  and name N and segid D   )
       ( resid  92  and name HN and segid D  )    10.826     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  93  and name N and segid D   )
       ( resid  93  and name HN and segid D  )     6.751     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  94  and name N and segid D   )
       ( resid  94  and name HN and segid D  )     6.204     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  95  and name N and segid D   )
       ( resid  95  and name HN and segid D  )     7.785     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  96  and name N and segid D   )
       ( resid  96  and name HN and segid D  )     7.481     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  97  and name N and segid D   )
       ( resid  97  and name HN and segid D  )     5.656     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  98  and name N and segid D   )
       ( resid  98  and name HN and segid D  )     4.440     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  99  and name N and segid D   )
       ( resid  99  and name HN and segid D  )     8.819     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100  and name N and segid D   )
       ( resid 100  and name HN and segid D  )     4.257     1.000


!G. RDCs for phosphorylated IIBChb used in the calculation on the phosphoryl transition state

!1. 100 mM NaCl/10mg/ml phage pf1


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   4  and name N and segid D   )
       ( resid   4  and name HN and segid D  )    40.520     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   5  and name N and segid D   )
       ( resid   5  and name HN and segid D  )     2.700     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   6  and name N and segid D   )
       ( resid   6  and name HN and segid D  )    -5.230     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   8  and name N and segid D   )
       ( resid   8  and name HN and segid D  )     3.290     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   9  and name N and segid D   )
       ( resid   9  and name HN and segid D  )     7.680     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  10  and name N and segid D   )
       ( resid  10  and name HN and segid D  )    28.890     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  11  and name N and segid D   )
       ( resid  11  and name HN and segid D  )    24.400     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  12  and name N and segid D   )
       ( resid  12  and name HN and segid D  )    35.600     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  13  and name N and segid D   )
       ( resid  13  and name HN and segid D  )    -0.070     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  14  and name N and segid D   )
       ( resid  14  and name HN and segid D  )   -17.110     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  16  and name N and segid D   )
       ( resid  16  and name HN and segid D  )    34.690     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name N and segid D   )
       ( resid  17  and name HN and segid D  )   -22.250     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  19  and name N and segid D   )
       ( resid  19  and name HN and segid D  )   -15.050     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  20  and name N and segid D   )
       ( resid  20  and name HN and segid D  )   -18.120     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name N and segid D   )
       ( resid  21  and name HN and segid D  )   -39.670     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  23  and name N and segid D   )
       ( resid  23  and name HN and segid D  )   -14.270     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  24  and name N and segid D   )
       ( resid  24  and name HN and segid D  )   -32.400     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  26  and name N and segid D   )
       ( resid  26  and name HN and segid D  )   -17.380     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  28  and name N and segid D   )
       ( resid  28  and name HN and segid D  )   -37.160     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  30  and name N and segid D   )
       ( resid  30  and name HN and segid D  )   -14.920     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  32  and name N and segid D   )
       ( resid  32  and name HN and segid D  )   -24.900     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  34  and name N and segid D   )
       ( resid  34  and name HN and segid D  )    19.210     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  35  and name N and segid D   )
       ( resid  35  and name HN and segid D  )     1.080     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  36  and name N and segid D   )
       ( resid  36  and name HN and segid D  )    -1.670     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  37  and name N and segid D   )
       ( resid  37  and name HN and segid D  )    -5.760     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  38  and name N and segid D   )
       ( resid  38  and name HN and segid D  )    -5.470     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  39  and name N and segid D   )
       ( resid  39  and name HN and segid D  )     0.840     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  42  and name N and segid D   )
       ( resid  42  and name HN and segid D  )   -11.410     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  43  and name N and segid D   )
       ( resid  43  and name HN and segid D  )    33.180     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  45  and name N and segid D   )
       ( resid  45  and name HN and segid D  )   -34.850     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  46  and name N and segid D   )
       ( resid  46  and name HN and segid D  )   -26.700     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  48  and name N and segid D   )
       ( resid  48  and name HN and segid D  )   -21.370     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  51  and name N and segid D   )
       ( resid  51  and name HN and segid D  )    -3.820     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  52  and name N and segid D   )
       ( resid  52  and name HN and segid D  )     4.990     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  53  and name N and segid D   )
       ( resid  53  and name HN and segid D  )    -8.110     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  54  and name N and segid D   )
       ( resid  54  and name HN and segid D  )    -9.440     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  55  and name N and segid D   )
       ( resid  55  and name HN and segid D  )    -1.840     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  56  and name N and segid D   )
       ( resid  56  and name HN and segid D  )    -2.570     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  62  and name N and segid D   )
       ( resid  62  and name HN and segid D  )   -15.500     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  64  and name N and segid D   )
       ( resid  64  and name HN and segid D  )    18.450     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  66  and name N and segid D   )
       ( resid  66  and name HN and segid D  )    -1.340     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  67  and name N and segid D   )
       ( resid  67  and name HN and segid D  )    18.200     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  68  and name N and segid D   )
       ( resid  68  and name HN and segid D  )   -10.290     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  69  and name N and segid D   )
       ( resid  69  and name HN and segid D  )   -28.510     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  70  and name N and segid D   )
       ( resid  70  and name HN and segid D  )     8.450     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  71  and name N and segid D   )
       ( resid  71  and name HN and segid D  )     3.430     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  73  and name N and segid D   )
       ( resid  73  and name HN and segid D  )     3.550     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  76  and name N and segid D   )
       ( resid  76  and name HN and segid D  )    -5.610     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  77  and name N and segid D   )
       ( resid  77  and name HN and segid D  )    -4.470     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  78  and name N and segid D   )
       ( resid  78  and name HN and segid D  )    -2.920     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  79  and name N and segid D   )
       ( resid  79  and name HN and segid D  )    -0.260     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  82  and name N and segid D   )
       ( resid  82  and name HN and segid D  )   -15.670     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  83  and name N and segid D   )
       ( resid  83  and name HN and segid D  )    -3.010     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  84  and name N and segid D   )
       ( resid  84  and name HN and segid D  )    -5.060     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  85  and name N and segid D   )
       ( resid  85  and name HN and segid D  )     5.200     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  86  and name N and segid D   )
       ( resid  86  and name HN and segid D  )   -13.970     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  88  and name N and segid D   )
       ( resid  88  and name HN and segid D  )    -9.380     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  89  and name N and segid D   )
       ( resid  89  and name HN and segid D  )    -0.590     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  90  and name N and segid D   )
       ( resid  90  and name HN and segid D  )     8.980     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  92  and name N and segid D   )
       ( resid  92  and name HN and segid D  )   -13.080     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  93  and name N and segid D   )
       ( resid  93  and name HN and segid D  )    13.280     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  94  and name N and segid D   )
       ( resid  94  and name HN and segid D  )     6.000     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  95  and name N and segid D   )
       ( resid  95  and name HN and segid D  )   -18.900     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  96  and name N and segid D   )
       ( resid  96  and name HN and segid D  )    -0.280     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  97  and name N and segid D   )
       ( resid  97  and name HN and segid D  )    16.890     1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  98  and name N and segid D   )
       ( resid  98  and name HN and segid D  )   -10.420     1.000

!2. 200 mM NaCl/15 mg/ml pf1

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   4  and name N and segid D   )
       ( resid   4  and name HN and segid D  )    15.120     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   5  and name N and segid D   )
       ( resid   5  and name HN and segid D  )    -1.100     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   6  and name N and segid D   )
       ( resid   6  and name HN and segid D  )    -0.450     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   8  and name N and segid D   )
       ( resid   8  and name HN and segid D  )     1.630     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   9  and name N and segid D   )
       ( resid   9  and name HN and segid D  )     8.740     1.000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  10  and name N and segid D   )
       ( resid  10  and name HN and segid D  )    16.290     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  11  and name N and segid D   )
       ( resid  11  and name HN and segid D  )    12.950     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  12  and name N and segid D   )
       ( resid  12  and name HN and segid D  )    16.940     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  13  and name N and segid D   )
       ( resid  13  and name HN and segid D  )     4.100     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  14  and name N and segid D   )
       ( resid  14  and name HN and segid D  )    -7.390     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  16  and name N and segid D   )
       ( resid  16  and name HN and segid D  )    12.350     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  17  and name N and segid D   )
       ( resid  17  and name HN and segid D  )   -11.360     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  19  and name N and segid D   )
       ( resid  19  and name HN and segid D  )   -11.060     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  20  and name N and segid D   )
       ( resid  20  and name HN and segid D  )   -12.320     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  21  and name N and segid D   )
       ( resid  21  and name HN and segid D  )   -18.390     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  22  and name N and segid D   )
       ( resid  22  and name HN and segid D  )   -13.410     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  23  and name N and segid D   )
       ( resid  23  and name HN and segid D  )    -8.550     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  24  and name N and segid D   )
       ( resid  24  and name HN and segid D  )   -17.280     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  26  and name N and segid D   )
       ( resid  26  and name HN and segid D  )   -12.270     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  27  and name N and segid D   )
       ( resid  27  and name HN and segid D  )   -12.840     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  28  and name N and segid D   )
       ( resid  28  and name HN and segid D  )   -19.370     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  30  and name N and segid D   )
       ( resid  30  and name HN and segid D  )   -10.870     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  32  and name N and segid D   )
       ( resid  32  and name HN and segid D  )   -11.290     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  34  and name N and segid D   )
       ( resid  34  and name HN and segid D  )     6.760     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  35  and name N and segid D   )
       ( resid  35  and name HN and segid D  )     0.380     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  36  and name N and segid D   )
       ( resid  36  and name HN and segid D  )     0.430     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  37  and name N and segid D   )
       ( resid  37  and name HN and segid D  )     0.690     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  38  and name N and segid D   )
       ( resid  38  and name HN and segid D  )     1.530     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  39  and name N and segid D   )
       ( resid  39  and name HN and segid D  )     6.040     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  42  and name N and segid D   )
       ( resid  42  and name HN and segid D  )    -5.040     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  43  and name N and segid D   )
       ( resid  43  and name HN and segid D  )    14.810     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  45  and name N and segid D   )
       ( resid  45  and name HN and segid D  )   -19.280     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  46  and name N and segid D   )
       ( resid  46  and name HN and segid D  )   -13.730     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  47  and name N and segid D   )
       ( resid  47  and name HN and segid D  )   -15.290     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  48  and name N and segid D   )
       ( resid  48  and name HN and segid D  )   -14.420     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  49  and name N and segid D   )
       ( resid  49  and name HN and segid D  )    -2.350     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  51  and name N and segid D   )
       ( resid  51  and name HN and segid D  )    -5.200     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  52  and name N and segid D   )
       ( resid  52  and name HN and segid D  )     3.190     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  53  and name N and segid D   )
       ( resid  53  and name HN and segid D  )     4.900     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  54  and name N and segid D   )
       ( resid  54  and name HN and segid D  )     1.170     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  55  and name N and segid D   )
       ( resid  55  and name HN and segid D  )     5.450     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  56  and name N and segid D   )
       ( resid  56  and name HN and segid D  )     3.540     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  59  and name N and segid D   )
       ( resid  59  and name HN and segid D  )    -0.230     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  60  and name N and segid D   )
       ( resid  60  and name HN and segid D  )    -9.270     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  61  and name N and segid D   )
       ( resid  61  and name HN and segid D  )     6.660     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  62  and name N and segid D   )
       ( resid  62  and name HN and segid D  )    -7.480     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  64  and name N and segid D   )
       ( resid  64  and name HN and segid D  )     7.720     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  66  and name N and segid D   )
       ( resid  66  and name HN and segid D  )    -0.870     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  67  and name N and segid D   )
       ( resid  67  and name HN and segid D  )    10.640     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  68  and name N and segid D   )
       ( resid  68  and name HN and segid D  )    -1.810     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  70  and name N and segid D   )
       ( resid  70  and name HN and segid D  )     4.400     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  71  and name N and segid D   )
       ( resid  71  and name HN and segid D  )     5.800     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  73  and name N and segid D   )
       ( resid  73  and name HN and segid D  )     4.830     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  76  and name N and segid D   )
       ( resid  76  and name HN and segid D  )     1.330     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  77  and name N and segid D   )
       ( resid  77  and name HN and segid D  )     3.090     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  78  and name N and segid D   )
       ( resid  78  and name HN and segid D  )     4.070     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  79  and name N and segid D   )
       ( resid  79  and name HN and segid D  )    -2.440     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  80  and name N and segid D   )
       ( resid  80  and name HN and segid D  )   -19.100     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  81  and name N and segid D   )
       ( resid  81  and name HN and segid D  )     1.730     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  82  and name N and segid D   )
       ( resid  82  and name HN and segid D  )    -5.280     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  83  and name N and segid D   )
       ( resid  83  and name HN and segid D  )    -1.380     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  84  and name N and segid D   )
       ( resid  84  and name HN and segid D  )    -0.970     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  86  and name N and segid D   )
       ( resid  86  and name HN and segid D  )    -5.850     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  88  and name N and segid D   )
       ( resid  88  and name HN and segid D  )    -4.570     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  89  and name N and segid D   )
       ( resid  89  and name HN and segid D  )    -1.180     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  90  and name N and segid D   )
       ( resid  90  and name HN and segid D  )     3.080     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  92  and name N and segid D   )
       ( resid  92  and name HN and segid D  )    -3.340     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  93  and name N and segid D   )
       ( resid  93  and name HN and segid D  )     4.220     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  94  and name N and segid D   )
       ( resid  94  and name HN and segid D  )    -0.050     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  95  and name N and segid D   )
       ( resid  95  and name HN and segid D  )    -7.270     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  96  and name N and segid D   )
       ( resid  96  and name HN and segid D  )    -0.170     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  97  and name N and segid D   )
       ( resid  97  and name HN and segid D  )     5.070     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  98  and name N and segid D   )
       ( resid  98  and name HN and segid D  )    -6.460     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100  and name N and segid D   )
       ( resid 100  and name HN and segid D  )     2.440     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 101  and name N and segid D   )
       ( resid 101  and name HN and segid D  )     1.040     1.000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 102  and name N and segid D   )
       ( resid 102  and name HN and segid D  )    -9.550     1.000


!H. planarity restraints for phosphoryl transition state intermediate:


group
  select ( (resid 10 and name og and segid d) or 
        (resid 200 and name p and segid d) 
     or (resid 76 and (name ne2 or name cd2 or name ce1 ) and segid A)
         )
  weight=$kplan
end


!G. Geometric restraints for phosphoryl transition state


topology 
  presidue TP
     group
     modify atom 1NE2 charge=0.0 end
     modify atom 1cd2 charge=0.0 end
     modify atom 1ce1 charge=0.0 end
     group
     modify atom 2cb charge=0.0 end 
     modify atom 2sg  charge=0.0 end 
     delete atom 2hg  charge=0.0 end
     group
     modify atom 3P charge=0.0 end
     modify atom 3O1P charge=0.0 end
     modify atom 3O2P charge=0.0 end
     modify atom 3O3P charge=0.0 end 
   add bond 1NE2 3P
   add bond 2sg 3P
   add angle 2cb 2sg 3p
   add angle 1NE2 3P 2sg
   add angle 1NE2 3P 3O1P
   add angle 1NE2 3P 3O2P
   add angle 1NE2 3P 3O3P
   add angle 2sg   3P 3O1P 
   add angle 2sg   3P 3O2P
   add angle 2sg   3P 3O3P 
   add angle 1cd2 1ne2 3p
   add angle 1ce1 1ne2 3p
  end
end

evaluate ($ktran=500.0)
evaluate ($ktran2 = $ktran/2)
evaluate ($ktran25 = $ktran/2.5)

param
   bond PPP NB 500.0 3.3 
   bond PPP S  500.0 3.3 
   angle NB PPP S  $ktran 180.0
   angle NB PPP OP1 $ktran 90.0
   angle NB PPP OP2 $ktran 90.0
   angle NB PPP OP3 $ktran 90.0
   angle S PPP OP1 $ktran 90.0
   angle S PPP OP2 $ktran 90.0
   angle S PPP OP3 $ktran 90.0
   angle CV NB  PPP $ktran2 120.0
   angle CR NB  PPP $ktran2 120.0
   angle CT S PPP  $ktran2 97.0 
end

patch TP
  reference=1=(segid A and resid 76) reference=2=(segid D and resid 10) reference=3=(segid D and resid 200)
end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018
    8    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    9    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
   10    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
   11    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
   12    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
   13    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085
   14    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
   15    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
   16    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
   17    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
   18    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
   19    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881
   20    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
   21    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
   22    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
   23    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
   24    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
   25   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
   26   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
   27   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
   28   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   29   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   30   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409
   31    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
   32    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
   33    HB2  GLU   5           HB2      GLU   5 -13.296 -14.294  -2.719
   34    HB3  GLU   5           HB3      GLU   5 -14.701 -13.920  -1.720
   35    HG2  GLU   5           HG2      GLU   5 -14.605 -11.578  -2.385
   36    HG3  GLU   5           HG3      GLU   5 -13.124 -11.867  -3.296
   37    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
   38    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
   39    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
   40    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
   41    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
   42    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969
   43    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
   44    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
   45    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
   46   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
   47   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
   48   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
   49   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
   50   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
   51   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144
   52    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
   53    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
   54    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
   55   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
   56   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
   57   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
   58   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
   59   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
   60   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311
   61    H    MET   9           H        MET   9 -12.583  -9.290   1.149
   62    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
   63    HB2  MET   9           HB2      MET   9 -14.720  -8.399   1.596
   64    HB3  MET   9           HB3      MET   9 -15.017  -6.672   1.410
   65    HG2  MET   9           HG2      MET   9 -14.375  -6.746  -0.881
   66    HG3  MET   9           HG3      MET   9 -13.866  -8.427  -0.758
   67    HE1  MET   9           HE1      MET   9 -16.514  -5.880  -1.180
   68    HE3  MET   9           HE2      MET   9 -17.055  -6.305   0.434
   69    HE2  MET   9           HE3      MET   9 -18.075  -6.673  -0.950
   70    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
   71    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
   72    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875
   73    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
   74    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
   75    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
   76    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
   77    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
   78   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
   79   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
   80   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
   81   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   82   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   83   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380
   84    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
   85    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
   86    HB   ILE  12           HB       ILE  12 -10.908  -4.344   1.216
   87   HG12  ILE  12          HG12      ILE  12  -9.281  -6.139   0.875
   88   HG13  ILE  12          HG13      ILE  12  -9.482  -5.244  -0.614
   89   HG22  ILE  12          HG21      ILE  12  -8.655  -2.515   0.360
   90   HG21  ILE  12          HG22      ILE  12 -10.215  -2.004   0.945
   91   HG23  ILE  12          HG23      ILE  12 -10.092  -2.859  -0.580
   92   HD11  ILE  12          HD11      ILE  12  -7.462  -3.852   0.371
   93   HD13  ILE  12          HD12      ILE  12  -7.183  -5.338  -0.489
   94   HD12  ILE  12          HD13      ILE  12  -7.166  -5.328   1.254
   95    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
   96    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
   97    HB   ILE  13           HB       ILE  13 -13.278  -3.608   5.234
   98   HG12  ILE  13          HG12      ILE  13 -13.515  -3.222   2.700
   99   HG13  ILE  13          HG13      ILE  13 -14.987  -3.461   3.607
  100   HG22  ILE  13          HG21      ILE  13 -15.121  -2.063   5.881
  101   HG21  ILE  13          HG22      ILE  13 -14.157  -0.706   5.302
  102   HG23  ILE  13          HG23      ILE  13 -13.603  -1.668   6.672
  103   HD11  ILE  13          HD11      ILE  13 -15.297  -0.971   3.686
  104   HD13  ILE  13          HD12      ILE  13 -15.304  -1.615   2.057
  105   HD12  ILE  13          HD13      ILE  13 -13.884  -0.814   2.673
  106    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
  107    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
  108    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
  109    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
  110   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
  111   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539
  112    H    SER  15           H        SER  15  -8.341  -2.867   5.924
  113    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
  114    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
  115    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
  116    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146
  117    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
  118    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
  119    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034
  120    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
  121    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
  122    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
  123    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
  124    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
  125    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
  126   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
  127   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781
  128    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
  129    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
  130    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
  131    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
  132    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672
  133    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
  134    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
  135    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
  136    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
  137    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
  138    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
  139    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
  140    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
  141    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
  142   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
  143   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
  144   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
  145   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045
  146    H    SER  20           H        SER  20  -7.970   4.940   7.090
  147    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
  148    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
  149    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
  150    HG   SER  20           HG       SER  20 -10.606   8.239   7.842
  151    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
  152    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
  153    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
  154    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
  155    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
  156   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
  157   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
  158   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
  159   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
  160   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
  161   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657
  162    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
  163    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
  164    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
  165    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
  166    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087
  167    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
  168    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
  169    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
  170    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
  171    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
  172    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
  173    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
  174    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
  175    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305
  176    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
  177    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
  178    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
  179    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
  180    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331
  181    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
  182    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
  183    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
  184    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
  185    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621
  186    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
  187    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
  188    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
  189    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
  190    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
  191   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
  192   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
  193   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
  194   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
  195   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
  196   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185
  197    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
  198    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
  199    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
  200    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
  201    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
  202    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
  203    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
  204    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
  205    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
  206    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
  207    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
  208    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
  209    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694
  210    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
  211    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
  212    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
  213    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
  214    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
  215    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
  216   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
  217   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961
  218    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
  219    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
  220    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
  221    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
  222    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343
  223    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
  224    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
  225    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
  226    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
  227    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
  228    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
  229    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
  230    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
  231    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
  232    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
  233    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
  234    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
  235    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317
  236    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
  237    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
  238    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
  239    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
  240    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
  241    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
  242   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
  243   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207
  244    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
  245    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
  246    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053
  247    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
  248    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
  249    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
  250    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417
  251    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
  252    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
  253    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
  254    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
  255    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
  256    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
  257    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
  258    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
  259    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494
  260    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
  261    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
  262    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
  263    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
  264    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533
  265    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
  266    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
  267    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
  268    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
  269    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686
  270    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
  271    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
  272    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
  273    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
  274    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658
  275    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
  276    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
  277    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
  278    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
  279    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
  280    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
  281    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
  282    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
  283    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
  284    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
  285    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
  286    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
  287    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411
  288    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
  289    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
  290    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
  291    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
  292    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369
  293    H    MET  40           H        MET  40  -5.762   8.969  19.050
  294    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
  295    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
  296    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
  297    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
  298    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
  299    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
  300    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
  301    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048
  302    H    MET  41           H        MET  41  -3.748   7.776  17.709
  303    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
  304    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
  305    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
  306    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
  307    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
  308    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
  309    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
  310    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816
  311    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
  312    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
  313    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
  314    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007
  315    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
  316    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
  317    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
  318    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
  319    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
  320    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
  321   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
  322   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523
  323    H    SER  44           H        SER  44  -5.473   3.682  16.151
  324    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
  325    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
  326    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
  327    HG   SER  44           HG       SER  44  -4.682   4.558  12.011
  328    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
  329    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
  330    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
  331    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
  332    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
  333    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
  334    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
  335    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
  336    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
  337   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
  338   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
  339   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
  340   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434
  341    H    MET  46           H        MET  46  -4.208  -0.188  17.159
  342    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
  343    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
  344    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
  345    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
  346    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
  347    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
  348    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
  349    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515
  350    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
  351    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
  352    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
  353    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
  354    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217
  355    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
  356    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
  357    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
  358    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
  359    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
  360   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
  361   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
  362   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
  363   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
  364   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
  365   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013
  366    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
  367    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
  368    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
  369    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
  370   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
  371   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079
  372    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
  373    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
  374    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
  375    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
  376    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
  377    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895
  378    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
  379    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
  380    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
  381    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
  382    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240
  383    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
  384    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
  385    HB2  HIS  52           HB2      HIS  52  -0.941  -6.671  10.563
  386    HB3  HIS  52           HB3      HIS  52  -1.110  -7.750  11.948
  387    HD1  HIS  52           HD1      HIS  52   0.217 -10.081  11.774
  388    HD2  HIS  52           HD2      HIS  52   1.290  -7.190   8.968
  389    HE1  HIS  52           HE1      HIS  52   2.434 -10.819  10.796
  390    HE2  HIS  52           HE2      HIS  52   3.102  -9.067   9.084
  391    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
  392    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
  393    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
  394    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
  395    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
  396   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
  397   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
  398   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
  399   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
  400   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
  401   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504
  402    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
  403    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
  404    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
  405   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
  406   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
  407   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
  408   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
  409   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
  410   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574
  411    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
  412    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
  413    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
  414    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
  415    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
  416    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
  417   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
  418   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545
  419    H    THR  56           H        THR  56  -1.920 -12.382   9.152
  420    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
  421    HB   THR  56           HB       THR  56  -1.092 -14.228  10.982
  422    HG1  THR  56           HG1      THR  56   0.424 -12.223   9.759
  423   HG21  THR  56          HG21      THR  56   0.878 -15.728  10.013
  424   HG23  THR  56          HG22      THR  56   0.929 -15.118  11.666
  425   HG22  THR  56          HG23      THR  56   1.839 -14.300  10.397
  426    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
  427    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
  428    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
  429    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
  430    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
  431    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
  432    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
  433    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
  434    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
  435    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
  436    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
  437    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
  438    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426
  439    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
  440    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
  441    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
  442    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
  443    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
  444   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
  445   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
  446   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
  447   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
  448   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
  449   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755
  450    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
  451    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
  452    HB   ILE  59           HB       ILE  59   0.259 -14.630   4.919
  453   HG12  ILE  59          HG12      ILE  59   2.357 -16.243   3.443
  454   HG13  ILE  59          HG13      ILE  59   1.115 -15.297   2.622
  455   HG21  ILE  59          HG21      ILE  59   1.055 -16.098   6.789
  456   HG23  ILE  59          HG22      ILE  59   2.302 -15.053   6.158
  457   HG22  ILE  59          HG23      ILE  59   2.272 -16.750   5.719
  458   HD13  ILE  59          HD11      ILE  59   3.070 -13.904   2.788
  459   HD12  ILE  59          HD12      ILE  59   3.244 -14.262   4.504
  460   HD11  ILE  59          HD13      ILE  59   1.888 -13.289   3.940
  461    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
  462    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
  463    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
  464    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
  465    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
  466    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757
  467    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
  468    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
  469    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645
  470    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
  471    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
  472    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
  473    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826
  474    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
  475    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
  476    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
  477    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
  478    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586
  479    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
  480    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
  481    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398
  482    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
  483    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
  484    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
  485    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
  486    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
  487    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238
  488    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
  489    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
  490    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632
  491    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
  492    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
  493    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
  494    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
  495    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
  496    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
  497    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
  498    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
  499    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
  500    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
  501    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
  502    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
  503    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408
  504    H    MET  68           H        MET  68   2.915 -25.554  -6.513
  505    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
  506    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
  507    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
  508    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
  509    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
  510    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
  511    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
  512    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404
  513    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
  514    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
  515    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
  516    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
  517    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
  518    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
  519    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
  520    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
  521    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
  522    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
  523    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
  524    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
  525    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082
  526    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
  527    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
  528    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
  529   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
  530   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
  531   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
  532   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
  533   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
  534   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485
  535    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
  536    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
  537    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
  538    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
  539    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011
  540    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
  541    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
  542    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
  543    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
  544    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
  545   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
  546   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
  547   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
  548   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
  549   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
  550   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467
  551    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
  552    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
  553    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
  554   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
  555   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
  556   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
  557   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
  558   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
  559   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574
  560    H    LEU  74           H        LEU  74  -4.306 -13.693  -2.357
  561    HA   LEU  74           HA       LEU  74  -3.890 -12.635   0.156
  562    HB2  LEU  74           HB2      LEU  74  -2.869 -14.732  -0.493
  563    HB3  LEU  74           HB3      LEU  74  -1.925 -13.938  -1.749
  564    HG   LEU  74           HG       LEU  74  -0.745 -12.631   0.041
  565   HD12  LEU  74          HD11      LEU  74  -0.956 -13.551   2.384
  566   HD11  LEU  74          HD12      LEU  74  -2.375 -14.445   1.840
  567   HD13  LEU  74          HD13      LEU  74  -2.382 -12.681   1.820
  568   HD22  LEU  74          HD21      LEU  74   0.817 -14.294   0.303
  569   HD21  LEU  74          HD22      LEU  74  -0.205 -15.136  -0.860
  570   HD23  LEU  74          HD23      LEU  74  -0.371 -15.474   0.865
  571    H    VAL  75           H        VAL  75  -2.642 -11.645  -2.960
  572    HA   VAL  75           HA       VAL  75  -0.852  -9.662  -1.994
  573    HB   VAL  75           HB       VAL  75  -2.124 -10.017  -4.711
  574   HG11  VAL  75          HG11      VAL  75  -0.328  -7.954  -3.583
  575   HG13  VAL  75          HG12      VAL  75  -1.314  -7.910  -5.041
  576   HG12  VAL  75          HG13      VAL  75   0.260  -8.692  -5.065
  577   HG21  VAL  75          HG21      VAL  75  -0.669 -11.892  -3.850
  578   HG23  VAL  75          HG22      VAL  75   0.653 -10.733  -3.710
  579   HG22  VAL  75          HG23      VAL  75  -0.029 -11.104  -5.293
  580    H    HIS  76           H        HIS  76  -4.311  -9.438  -3.154
  581    HA   HIS  76           HA       HIS  76  -4.567  -6.623  -3.124
  582    HB2  HIS  76           HB2      HIS  76  -6.352  -8.174  -3.991
  583    HB3  HIS  76           HB3      HIS  76  -6.716  -8.627  -2.353
  584    HD1  HIS  76           HD1      HIS  76  -6.005  -5.017  -2.591
  585    HD2  HIS  76           HD2      HIS  76  -9.428  -7.391  -3.106
  586    HE1  HIS  76           HE1      HIS  76  -7.995  -3.439  -2.572
  587    H    ALA  77           H        ALA  77  -4.778  -9.007  -0.538
  588    HA   ALA  77           HA       ALA  77  -5.496  -7.079   1.474
  589    HB3  ALA  77           HB1      ALA  77  -6.241  -9.168   2.086
  590    HB2  ALA  77           HB2      ALA  77  -4.708  -9.135   2.957
  591    HB1  ALA  77           HB3      ALA  77  -4.831  -9.987   1.417
  592    H    GLN  78           H        GLN  78  -2.493  -8.750   0.525
  593    HA   GLN  78           HA       GLN  78  -0.873  -7.736   2.613
  594    HB2  GLN  78           HB2      GLN  78  -0.362  -9.639   0.956
  595    HB3  GLN  78           HB3      GLN  78   0.141  -8.364  -0.156
  596    HG2  GLN  78           HG2      GLN  78   1.723  -7.519   1.558
  597    HG3  GLN  78           HG3      GLN  78   1.248  -8.835   2.627
  598   HE21  GLN  78          HE21      GLN  78   3.851  -9.014   2.169
  599   HE22  GLN  78          HE22      GLN  78   4.241 -10.134   0.955
  600    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
  601    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
  602    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
  603    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
  604    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
  605   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
  606   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
  607   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
  608   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
  609   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
  610   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653
  611    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
  612    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
  613    HB2  HIS  80           HB2      HIS  80  -5.070  -4.181   1.134
  614    HB3  HIS  80           HB3      HIS  80  -5.401  -2.799   2.181
  615    HD1  HIS  80           HD1      HIS  80  -6.636  -0.864   1.150
  616    HD2  HIS  80           HD2      HIS  80  -5.064  -3.425  -1.741
  617    HE1  HIS  80           HE1      HIS  80  -7.519  -0.054  -1.082
  618    HE2  HIS  80           HE2      HIS  80  -6.569  -1.605  -2.855
  619    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
  620    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
  621    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
  622    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
  623    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
  624   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
  625   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
  626   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
  627   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
  628   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
  629   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311
  630    H    MET  82           H        MET  82  -0.176  -4.258   3.098
  631    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
  632    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
  633    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
  634    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
  635    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
  636    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
  637    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
  638    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598
  639    H    THR  83           H        THR  83   0.094  -1.721   2.227
  640    HA   THR  83           HA       THR  83   1.516   0.721   2.313
  641    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
  642    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
  643   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
  644   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
  645   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410
  646    H    SER  84           H        SER  84  -1.492  -0.300   3.919
  647    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
  648    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
  649    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
  650    HG   SER  84           HG       SER  84  -3.770   0.329   4.073
  651    H    MET  85           H        MET  85  -0.276  -0.809   6.390
  652    HA   MET  85           HA       MET  85   0.252   0.113   8.994
  653    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
  654    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
  655    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
  656    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
  657    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
  658    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
  659    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664
  660    H    LEU  86           H        LEU  86   2.183   0.362   6.040
  661    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
  662    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
  663    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
  664    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
  665   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
  666   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
  667   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
  668   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
  669   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
  670   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865
  671    H    ALA  87           H        ALA  87   1.496   2.920   5.614
  672    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
  673    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
  674    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
  675    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206
  676    H    ARG  88           H        ARG  88   0.409   3.652   8.091
  677    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
  678    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
  679    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
  680    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
  681    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
  682    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
  683    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
  684    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
  685   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
  686   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
  687   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
  688   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574
  689    H    GLU  89           H        GLU  89   2.696   3.470   9.710
  690    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
  691    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
  692    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
  693    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
  694    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522
  695    H    LEU  90           H        LEU  90   4.282   5.510   8.725
  696    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
  697    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
  698    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
  699    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
  700   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
  701   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
  702   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
  703   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
  704   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
  705   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379
  706    H    ILE  91           H        ILE  91   2.683   7.532   9.165
  707    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
  708    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
  709   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
  710   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
  711   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
  712   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
  713   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
  714   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
  715   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
  716   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876
  717    H    THR  92           H        THR  92   2.750   7.562  11.817
  718    HA   THR  92           HA       THR  92   2.315   8.936  14.242
  719    HB   THR  92           HB       THR  92   4.114   6.595  13.573
  720    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
  721   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
  722   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
  723   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560
  724    H    GLU  93           H        GLU  93   5.261   8.478  12.303
  725    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
  726    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
  727    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
  728    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
  729    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366
  730    H    LEU  94           H        LEU  94   4.973  10.921  11.289
  731    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
  732    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
  733    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
  734    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
  735   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
  736   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
  737   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
  738   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
  739   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
  740   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365
  741    H    ILE  95           H        ILE  95   3.246  12.011  13.082
  742    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
  743    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
  744   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
  745   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
  746   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
  747   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
  748   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
  749   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
  750   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
  751   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566
  752    H    GLU  96           H        GLU  96   4.802  12.139  15.271
  753    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
  754    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
  755    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
  756    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
  757    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349
  758    H    LEU  97           H        LEU  97   6.434  14.107  14.475
  759    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
  760    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
  761    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
  762    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
  763   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
  764   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
  765   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
  766   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
  767   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
  768   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987
  769    H    HIS  98           H        HIS  98   4.832  16.240  14.535
  770    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
  771    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
  772    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
  773    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
  774    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
  775    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
  776    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531
  777    H    GLU  99           H        GLU  99   4.670  16.551  17.169
  778    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
  779    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
  780    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
  781    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
  782    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526
  783    H    LYS 100           H        LYS 100   7.117  17.312  17.799
  784    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
  785    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
  786    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
  787    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
  788    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
  789    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
  790    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
  791    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
  792    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
  793    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
  794    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
  795    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524
  796    H    LEU 101           H        LEU 101   7.080  19.640  16.701
  797    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
  798    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
  799    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
  800    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
  801   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
  802   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
  803   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
  804   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
  805   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
  806   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300
  807    H    LYS 102           H        LYS 102   6.761  21.059  18.982
  808    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
  809    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
  810    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
  811    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
  812    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
  813    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
  814    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
  815    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
  816    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
  817    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
  818    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
  819    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536
  820    H    ALA 103           H        ALA 103   4.493  23.697  18.150
  821    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
  822    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
  823    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
  824    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =         824
  In of MODEL    1
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020
    8    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    9    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
   10    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
   11    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
   12    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
   13    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488
   14    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
   15    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
   16    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
   17    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
   18    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
   19    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643
   20    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
   21    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
   22    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
   23    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
   24    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
   25   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
   26   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
   27   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
   28   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   29   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   30   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405
   31    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
   32    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
   33    HB2  GLU   5           HB2      GLU   5  10.442 -20.447  -4.414
   34    HB3  GLU   5           HB3      GLU   5  11.860 -20.881  -3.458
   35    HG2  GLU   5           HG2      GLU   5  10.873 -19.900  -1.462
   36    HG3  GLU   5           HG3      GLU   5   9.496 -19.311  -2.393
   37    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
   38    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
   39    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
   40    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
   41    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
   42    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302
   43    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
   44    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
   45    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
   46   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
   47   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
   48   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
   49   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
   50   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
   51   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555
   52    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
   53    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
   54    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
   55   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
   56   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
   57   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
   58   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
   59   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
   60   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048
   61    H    MET   9           H        MET   9  12.935 -15.709  -0.935
   62    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
   63    HB2  MET   9           HB2      MET   9  14.050 -16.702   0.890
   64    HB3  MET   9           HB3      MET   9  13.746 -16.127   2.528
   65    HG2  MET   9           HG2      MET   9  11.379 -16.616   2.319
   66    HG3  MET   9           HG3      MET   9  11.575 -17.036   0.618
   67    HE1  MET   9           HE1      MET   9  11.952 -17.884   4.238
   68    HE3  MET   9           HE2      MET   9  13.685 -17.907   3.930
   69    HE2  MET   9           HE3      MET   9  12.849 -19.404   4.326
   70    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
   71    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
   72    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149
   73    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
   74    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
   75    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
   76    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
   77    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
   78   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
   79   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
   80   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
   81   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   82   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   83   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548
   84    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
   85    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
   86    HB   ILE  12           HB       ILE  12  11.642 -11.935   2.358
   87   HG12  ILE  12          HG12      ILE  12  10.842 -11.676   0.050
   88   HG13  ILE  12          HG13      ILE  12   9.508 -12.093   1.104
   89   HG21  ILE  12          HG21      ILE  12   9.690  -9.698   2.977
   90   HG23  ILE  12          HG22      ILE  12  10.806 -10.431   4.124
   91   HG22  ILE  12          HG23      ILE  12   9.486 -11.381   3.451
   92   HD11  ILE  12          HD11      ILE  12   9.451  -9.379   1.225
   93   HD13  ILE  12          HD12      ILE  12   8.497 -10.335   0.125
   94   HD12  ILE  12          HD13      ILE  12  10.001  -9.634  -0.418
   95    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
   96    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
   97    HB   ILE  13           HB       ILE  13  16.100 -11.638   3.846
   98   HG12  ILE  13          HG12      ILE  13  13.905 -12.742   4.508
   99   HG13  ILE  13          HG13      ILE  13  15.355 -13.530   5.109
  100   HG22  ILE  13          HG21      ILE  13  17.221 -11.967   6.036
  101   HG21  ILE  13          HG22      ILE  13  16.108 -10.810   6.760
  102   HG23  ILE  13          HG23      ILE  13  17.247 -10.284   5.523
  103   HD11  ILE  13          HD11      ILE  13  15.007 -12.267   7.296
  104   HD13  ILE  13          HD12      ILE  13  13.783 -13.465   6.922
  105   HD12  ILE  13          HD13      ILE  13  13.442 -11.766   6.666
  106    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
  107    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
  108    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
  109    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
  110   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
  111   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117
  112    H    SER  15           H        SER  15  14.603  -7.251   1.843
  113    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
  114    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
  115    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
  116    HG   SER  15           HG       SER  15  11.408  -7.020   1.748
  117    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
  118    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
  119    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426
  120    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
  121    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
  122    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
  123    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
  124    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
  125    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
  126   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
  127   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019
  128    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
  129    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
  130    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
  131    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
  132    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366
  133    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
  134    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
  135    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
  136    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
  137    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
  138    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
  139    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
  140    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
  141    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
  142   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
  143   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
  144   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
  145   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097
  146    H    SER  20           H        SER  20  14.395  -2.497   8.151
  147    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
  148    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
  149    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
  150    HG   SER  20           HG       SER  20  15.682  -2.508  12.254
  151    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
  152    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
  153    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
  154    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
  155    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
  156   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
  157   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
  158   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
  159   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
  160   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
  161   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485
  162    H    ALA  22           H        ALA  22  16.358   1.124   7.733
  163    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
  164    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
  165    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
  166    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266
  167    H    TYR  23           H        TYR  23  14.399   2.061   9.585
  168    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
  169    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
  170    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
  171    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
  172    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
  173    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
  174    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
  175    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618
  176    H    ALA  24           H        ALA  24  16.084   2.025  11.669
  177    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
  178    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
  179    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
  180    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326
  181    H    ALA  25           H        ALA  25  17.707   3.952  10.953
  182    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
  183    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
  184    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
  185    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309
  186    H    LEU  26           H        LEU  26  16.134   6.114  11.240
  187    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
  188    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
  189    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
  190    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
  191   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
  192   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
  193   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
  194   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
  195   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
  196   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510
  197    H    LYS  27           H        LYS  27  15.803   6.114  13.884
  198    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
  199    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
  200    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
  201    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
  202    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
  203    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
  204    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
  205    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
  206    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
  207    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
  208    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
  209    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980
  210    H    GLN  28           H        GLN  28  18.327   6.899  14.659
  211    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
  212    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
  213    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
  214    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
  215    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
  216   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
  217   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912
  218    H    ALA  29           H        ALA  29  18.258   9.466  13.958
  219    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
  220    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
  221    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
  222    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369
  223    H    LYS  30           H        LYS  30  16.482  10.487  15.734
  224    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
  225    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
  226    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
  227    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
  228    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
  229    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
  230    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
  231    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
  232    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
  233    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
  234    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
  235    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540
  236    H    GLN  31           H        GLN  31  18.130  10.568  17.827
  237    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
  238    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
  239    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
  240    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
  241    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
  242   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
  243   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146
  244    H    GLY  32           H        GLY  32  18.979  12.899  17.555
  245    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
  246    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628
  247    H    ASP  33           H        ASP  33  21.141  12.055  16.849
  248    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
  249    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
  250    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000
  251    H    PHE  34           H        PHE  34  23.484  14.052  14.501
  252    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
  253    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
  254    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
  255    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
  256    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
  257    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
  258    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
  259    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158
  260    H    ALA  35           H        ALA  35  25.507  12.880  13.218
  261    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
  262    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
  263    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
  264    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251
  265    H    ALA  36           H        ALA  36  25.496  10.103  13.525
  266    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
  267    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
  268    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
  269    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797
  270    H    ALA  37           H        ALA  37  23.157   9.742  12.385
  271    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
  272    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
  273    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
  274    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288
  275    H    LYS  38           H        LYS  38  23.397  10.436   9.731
  276    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
  277    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
  278    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
  279    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
  280    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
  281    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
  282    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
  283    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
  284    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
  285    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
  286    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
  287    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671
  288    H    ALA  39           H        ALA  39  25.271   8.412   9.006
  289    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
  290    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
  291    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
  292    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597
  293    H    MET  40           H        MET  40  23.729   6.206   9.235
  294    HA   MET  40           HA       MET  40  23.288   3.501   8.500
  295    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
  296    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
  297    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
  298    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
  299    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
  300    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
  301    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794
  302    H    MET  41           H        MET  41  21.870   6.554   7.316
  303    HA   MET  41           HA       MET  41  19.912   5.358   5.645
  304    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
  305    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
  306    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
  307    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
  308    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
  309    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
  310    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702
  311    H    ASP  42           H        ASP  42  23.283   6.285   5.089
  312    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
  313    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
  314    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970
  315    H    GLN  43           H        GLN  43  24.102   3.657   5.050
  316    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
  317    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
  318    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
  319    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
  320    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
  321   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
  322   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351
  323    H    SER  44           H        SER  44  21.712   2.530   4.854
  324    HA   SER  44           HA       SER  44  20.146   0.285   4.182
  325    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
  326    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
  327    HG   SER  44           HG       SER  44  17.576   1.824   5.629
  328    H    ARG  45           H        ARG  45  20.882   3.252   2.378
  329    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
  330    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
  331    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
  332    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
  333    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
  334    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
  335    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
  336    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
  337   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
  338   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
  339   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
  340   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333
  341    H    MET  46           H        MET  46  22.721   1.894   0.817
  342    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
  343    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
  344    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
  345    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
  346    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
  347    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
  348    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
  349    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231
  350    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
  351    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
  352    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
  353    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
  354    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452
  355    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
  356    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
  357    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
  358    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
  359    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
  360   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
  361   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
  362   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
  363   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
  364   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
  365   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103
  366    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
  367    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
  368    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
  369    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
  370   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
  371   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167
  372    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
  373    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
  374    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
  375    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
  376    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
  377    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523
  378    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
  379    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
  380    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
  381    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
  382    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631
  383    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
  384    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
  385    HB2  HIS  52           HB2      HIS  52  16.312  -1.675  -5.688
  386    HB3  HIS  52           HB3      HIS  52  17.784  -1.772  -6.655
  387    HD1  HIS  52           HD1      HIS  52  17.419  -2.035  -9.306
  388    HD2  HIS  52           HD2      HIS  52  14.039  -0.931  -7.128
  389    HE1  HIS  52           HE1      HIS  52  15.740  -1.155 -10.986
  390    HE2  HIS  52           HE2      HIS  52  13.675  -0.477  -9.674
  391    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
  392    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
  393    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
  394    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
  395    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
  396   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
  397   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
  398   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
  399   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
  400   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
  401   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686
  402    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
  403    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
  404    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
  405   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
  406   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
  407   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
  408   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
  409   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
  410   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549
  411    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
  412    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
  413    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
  414    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
  415    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
  416    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
  417   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
  418   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212
  419    H    THR  56           H        THR  56  16.248  -5.908  -9.892
  420    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
  421    HB   THR  56           HB       THR  56  17.824  -5.456 -12.072
  422    HG1  THR  56           HG1      THR  56  15.819  -3.811 -11.032
  423   HG21  THR  56          HG21      THR  56  16.360  -5.146 -14.271
  424   HG23  THR  56          HG22      THR  56  17.745  -4.104 -13.946
  425   HG22  THR  56          HG23      THR  56  16.113  -3.535 -13.597
  426    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
  427    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
  428    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
  429    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
  430    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
  431    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
  432    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
  433    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
  434    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
  435    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
  436    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
  437    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
  438    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700
  439    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
  440    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
  441    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
  442    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
  443    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
  444   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
  445   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
  446   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
  447   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
  448   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
  449   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144
  450    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
  451    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
  452    HB   ILE  59           HB       ILE  59  11.858  -7.184 -12.506
  453   HG12  ILE  59          HG12      ILE  59   9.905  -7.043 -14.816
  454   HG13  ILE  59          HG13      ILE  59   9.535  -7.842 -13.288
  455   HG21  ILE  59          HG21      ILE  59  13.433  -6.531 -14.340
  456   HG23  ILE  59          HG22      ILE  59  12.195  -5.334 -14.044
  457   HG22  ILE  59          HG23      ILE  59  12.070  -6.406 -15.428
  458   HD13  ILE  59          HD11      ILE  59   8.688  -5.595 -13.133
  459   HD12  ILE  59          HD12      ILE  59  10.215  -4.924 -13.698
  460   HD11  ILE  59          HD13      ILE  59  10.121  -5.687 -12.113
  461    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
  462    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
  463    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
  464    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
  465    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
  466    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275
  467    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
  468    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
  469    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993
  470    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
  471    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
  472    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
  473    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644
  474    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
  475    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
  476    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
  477    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
  478    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429
  479    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
  480    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
  481    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084
  482    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
  483    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
  484    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
  485    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
  486    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
  487    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975
  488    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
  489    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
  490    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328
  491    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
  492    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
  493    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
  494    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
  495    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
  496    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
  497    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
  498    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
  499    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
  500    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
  501    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
  502    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
  503    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172
  504    H    MET  68           H        MET  68   2.001 -15.536 -22.004
  505    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
  506    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
  507    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
  508    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
  509    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
  510    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
  511    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
  512    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856
  513    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
  514    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
  515    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
  516    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
  517    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
  518    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
  519    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
  520    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
  521    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
  522    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
  523    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
  524    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
  525    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547
  526    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
  527    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
  528    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
  529   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
  530   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
  531   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
  532   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
  533   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
  534   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588
  535    H    SER  71           H        SER  71   7.302 -14.678 -13.472
  536    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
  537    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
  538    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
  539    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423
  540    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
  541    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
  542    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
  543    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
  544    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
  545   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
  546   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
  547   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
  548   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
  549   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
  550   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098
  551    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
  552    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
  553    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
  554   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
  555   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
  556   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
  557   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
  558   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
  559   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058
  560    H    LEU  74           H        LEU  74   7.007 -13.189  -8.612
  561    HA   LEU  74           HA       LEU  74   8.960 -11.276  -8.178
  562    HB2  LEU  74           HB2      LEU  74   8.285 -11.872 -10.426
  563    HB3  LEU  74           HB3      LEU  74   6.648 -11.292 -10.138
  564    HG   LEU  74           HG       LEU  74   7.584  -8.978  -9.819
  565   HD12  LEU  74          HD11      LEU  74   9.914  -8.617 -10.715
  566   HD11  LEU  74          HD12      LEU  74  10.138 -10.366 -10.680
  567   HD13  LEU  74          HD13      LEU  74   9.862  -9.480  -9.179
  568   HD22  LEU  74          HD21      LEU  74   7.424  -8.547 -12.062
  569   HD21  LEU  74          HD22      LEU  74   6.914 -10.231 -12.128
  570   HD23  LEU  74          HD23      LEU  74   8.585  -9.804 -12.501
  571    H    VAL  75           H        VAL  75   5.470 -11.071  -7.827
  572    HA   VAL  75           HA       VAL  75   5.298  -8.307  -7.237
  573    HB   VAL  75           HB       VAL  75   3.516 -10.630  -6.501
  574   HG11  VAL  75          HG11      VAL  75   3.445  -7.768  -5.766
  575   HG13  VAL  75          HG12      VAL  75   2.596  -9.136  -5.052
  576   HG12  VAL  75          HG13      VAL  75   1.959  -8.359  -6.495
  577   HG21  VAL  75          HG21      VAL  75   3.843 -10.139  -8.932
  578   HG23  VAL  75          HG22      VAL  75   3.268  -8.496  -8.646
  579   HG22  VAL  75          HG23      VAL  75   2.185  -9.865  -8.396
  580    H    HIS  76           H        HIS  76   5.536 -11.182  -5.226
  581    HA   HIS  76           HA       HIS  76   5.223  -9.999  -2.739
  582    HB2  HIS  76           HB2      HIS  76   5.536 -12.510  -3.518
  583    HB3  HIS  76           HB3      HIS  76   7.226 -12.200  -3.117
  584    HD1  HIS  76           HD1      HIS  76   7.209 -10.634  -0.694
  585    HD2  HIS  76           HD2      HIS  76   4.339 -13.583  -1.256
  586    HE1  HIS  76           HE1      HIS  76   6.409 -11.283   1.616
  587    H    ALA  77           H        ALA  77   8.192 -10.458  -4.649
  588    HA   ALA  77           HA       ALA  77   9.922  -9.174  -2.772
  589    HB1  ALA  77           HB1      ALA  77  11.153 -10.493  -4.195
  590    HB3  ALA  77           HB2      ALA  77  11.314  -8.955  -5.044
  591    HB2  ALA  77           HB3      ALA  77  10.125 -10.141  -5.583
  592    H    GLN  78           H        GLN  78   8.154  -8.101  -5.657
  593    HA   GLN  78           HA       GLN  78   9.263  -5.503  -5.828
  594    HB2  GLN  78           HB2      GLN  78   7.826  -6.766  -7.546
  595    HB3  GLN  78           HB3      GLN  78   6.438  -6.205  -6.613
  596    HG2  GLN  78           HG2      GLN  78   7.221  -3.868  -6.887
  597    HG3  GLN  78           HG3      GLN  78   8.568  -4.448  -7.863
  598   HE21  GLN  78          HE21      GLN  78   7.122  -2.776  -9.321
  599   HE22  GLN  78          HE22      GLN  78   6.028  -3.561 -10.354
  600    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
  601    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
  602    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
  603    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
  604    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
  605   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
  606   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
  607   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
  608   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
  609   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
  610   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689
  611    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
  612    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
  613    HB2  HIS  80           HB2      HIS  80   9.135  -7.468  -0.488
  614    HB3  HIS  80           HB3      HIS  80  10.020  -6.579   0.753
  615    HD1  HIS  80           HD1      HIS  80   9.315  -6.959   3.139
  616    HD2  HIS  80           HD2      HIS  80   6.430  -8.284   0.436
  617    HE1  HIS  80           HE1      HIS  80   7.538  -8.138   4.507
  618    HE2  HIS  80           HE2      HIS  80   5.772  -8.951   2.874
  619    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
  620    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
  621    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
  622    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
  623    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
  624   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
  625   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
  626   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
  627   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
  628   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
  629   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646
  630    H    MET  82           H        MET  82   8.929  -2.999  -3.282
  631    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
  632    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
  633    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
  634    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
  635    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
  636    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
  637    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
  638    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729
  639    H    THR  83           H        THR  83   7.677  -1.871  -1.177
  640    HA   THR  83           HA       THR  83   6.828   0.478   0.149
  641    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
  642    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
  643   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
  644   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
  645   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180
  646    H    SER  84           H        SER  84   9.649  -1.623   0.670
  647    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
  648    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
  649    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
  650    HG   SER  84           HG       SER  84  10.632  -2.972   2.375
  651    H    MET  85           H        MET  85  11.464   0.067  -0.629
  652    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
  653    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
  654    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
  655    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
  656    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
  657    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
  658    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
  659    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441
  660    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
  661    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
  662    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
  663    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
  664    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
  665   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
  666   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
  667   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
  668   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
  669   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
  670   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079
  671    H    ALA  87           H        ALA  87   9.445   3.004   1.677
  672    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
  673    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
  674    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
  675    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990
  676    H    ARG  88           H        ARG  88  11.981   3.490   2.666
  677    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
  678    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
  679    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
  680    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
  681    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
  682    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
  683    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
  684    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
  685   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
  686   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
  687   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
  688   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878
  689    H    GLU  89           H        GLU  89  12.620   5.765   1.176
  690    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
  691    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
  692    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
  693    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
  694    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970
  695    H    LEU  90           H        LEU  90  10.841   7.618   2.149
  696    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
  697    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
  698    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
  699    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
  700   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
  701   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
  702   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
  703   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
  704   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
  705   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172
  706    H    ILE  91           H        ILE  91  11.590   7.669   4.647
  707    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
  708    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
  709   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
  710   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
  711   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
  712   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
  713   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
  714   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
  715   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
  716   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826
  717    H    THR  92           H        THR  92  13.949   8.861   4.363
  718    HA   THR  92           HA       THR  92  16.117  10.250   5.522
  719    HB   THR  92           HB       THR  92  15.130  10.127   2.661
  720    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
  721   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
  722   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
  723   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477
  724    H    GLU  93           H        GLU  93  13.231  11.408   3.794
  725    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
  726    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
  727    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
  728    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
  729    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536
  730    H    LEU  94           H        LEU  94  12.085  12.014   6.120
  731    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
  732    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
  733    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
  734    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
  735   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
  736   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
  737   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
  738   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
  739   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
  740   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904
  741    H    ILE  95           H        ILE  95  14.250  12.028   7.758
  742    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
  743    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
  744   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
  745   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
  746   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
  747   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
  748   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
  749   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
  750   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
  751   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568
  752    H    GLU  96           H        GLU  96  15.575  14.181   6.837
  753    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
  754    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
  755    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
  756    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
  757    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995
  758    H    LEU  97           H        LEU  97  13.913  16.075   7.745
  759    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
  760    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
  761    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
  762    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
  763   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
  764   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
  765   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
  766   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
  767   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
  768   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425
  769    H    HIS  98           H        HIS  98  14.320  15.982  10.382
  770    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
  771    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
  772    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
  773    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
  774    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
  775    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
  776    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410
  777    H    GLU  99           H        GLU  99  16.718  17.123  10.462
  778    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
  779    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
  780    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
  781    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
  782    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792
  783    H    LYS 100           H        LYS 100  16.183  19.619   9.776
  784    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
  785    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
  786    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
  787    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
  788    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
  789    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
  790    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
  791    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
  792    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
  793    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
  794    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
  795    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205
  796    H    LEU 101           H        LEU 101  14.886  20.312  11.886
  797    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
  798    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
  799    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
  800    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
  801   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
  802   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
  803   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
  804   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
  805   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
  806   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947
  807    H    LYS 102           H        LYS 102  16.871  21.767  13.027
  808    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
  809    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
  810    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
  811    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
  812    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
  813    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
  814    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
  815    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
  816    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
  817    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
  818    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
  819    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420
  820    H    ALA 103           H        ALA 103  16.647  21.032  16.521
  821    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
  822    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
  823    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
  824    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =         824
  In of MODEL    1
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103
    8    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    9    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
   10    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
   11    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
   12    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
   13    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451
   14    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
   15    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
   16    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
   17    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
   18    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
   19    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745
   20    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
   21    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
   22    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
   23    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
   24    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
   25   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
   26   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
   27   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
   28   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   29   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   30   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029
   31    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
   32    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
   33    HB2  GLU   5           HB2      GLU   5   0.087  -6.377 -21.744
   34    HB3  GLU   5           HB3      GLU   5   0.426  -5.138 -22.955
   35    HG2  GLU   5           HG2      GLU   5   2.495  -4.534 -21.818
   36    HG3  GLU   5           HG3      GLU   5   2.142  -5.660 -20.510
   37    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
   38    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
   39    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
   40    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
   41    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
   42    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687
   43    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
   44    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
   45    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
   46   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
   47   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
   48   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
   49   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
   50   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
   51   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604
   52    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
   53    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
   54    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
   55   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
   56   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
   57   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
   58   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
   59   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
   60   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055
   61    H    MET   9           H        MET   9   1.583  -0.630 -19.403
   62    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
   63    HB2  MET   9           HB2      MET   9   2.910   0.466 -21.008
   64    HB3  MET   9           HB3      MET   9   4.435   1.211 -20.530
   65    HG2  MET   9           HG2      MET   9   5.271  -0.908 -19.692
   66    HG3  MET   9           HG3      MET   9   3.712  -1.681 -19.978
   67    HE1  MET   9           HE1      MET   9   6.948  -0.322 -21.259
   68    HE3  MET   9           HE2      MET   9   5.971   0.839 -22.150
   69    HE2  MET   9           HE3      MET   9   6.879  -0.388 -23.024
   70    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
   71    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
   72    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775
   73    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
   74    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
   75    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
   76    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
   77    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
   78   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
   79   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
   80   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
   81   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   82   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   83   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195
   84    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
   85    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
   86    HB   ILE  12           HB       ILE  12   4.539   1.676 -15.847
   87   HG12  ILE  12          HG12      ILE  12   2.743   0.230 -14.992
   88   HG13  ILE  12          HG13      ILE  12   4.297  -0.539 -14.758
   89   HG21  ILE  12          HG21      ILE  12   5.562   1.600 -12.994
   90   HG23  ILE  12          HG22      ILE  12   6.255   2.545 -14.307
   91   HG22  ILE  12          HG23      ILE  12   6.314   0.788 -14.362
   92   HD11  ILE  12          HD11      ILE  12   4.054   0.789 -12.426
   93   HD13  ILE  12          HD12      ILE  12   3.492  -0.851 -12.653
   94   HD12  ILE  12          HD13      ILE  12   2.364   0.488 -12.775
   95    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
   96    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
   97    HB   ILE  13           HB       ILE  13   4.026   5.805 -18.058
   98   HG12  ILE  13          HG12      ILE  13   5.672   3.872 -17.928
   99   HG13  ILE  13          HG13      ILE  13   5.740   4.817 -19.406
  100   HG22  ILE  13          HG21      ILE  13   5.610   7.395 -19.134
  101   HG21  ILE  13          HG22      ILE  13   6.520   7.466 -17.628
  102   HG23  ILE  13          HG23      ILE  13   4.861   8.057 -17.689
  103   HD11  ILE  13          HD11      ILE  13   7.672   6.111 -18.353
  104   HD13  ILE  13          HD12      ILE  13   8.004   4.432 -18.723
  105   HD12  ILE  13          HD13      ILE  13   7.670   4.906 -17.072
  106    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
  107    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
  108    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
  109    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
  110   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
  111   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698
  112    H    SER  15           H        SER  15   2.204   6.070 -13.355
  113    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
  114    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
  115    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
  116    HG   SER  15           HG       SER  15   3.385   3.744 -11.496
  117    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
  118    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
  119    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464
  120    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
  121    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
  122    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
  123    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
  124    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
  125    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
  126   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
  127   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078
  128    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
  129    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
  130    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
  131    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
  132    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141
  133    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
  134    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
  135    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
  136    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
  137    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
  138    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
  139    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
  140    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
  141    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
  142   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
  143   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
  144   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
  145   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793
  146    H    SER  20           H        SER  20   7.311  10.971  -9.849
  147    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
  148    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
  149    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
  150    HG   SER  20           HG       SER  20  10.490  13.656 -10.934
  151    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
  152    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
  153    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
  154    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
  155    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
  156   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
  157   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
  158   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
  159   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
  160   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
  161   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659
  162    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
  163    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
  164    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
  165    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
  166    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319
  167    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
  168    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
  169    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
  170    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
  171    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
  172    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
  173    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
  174    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
  175    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608
  176    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
  177    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
  178    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
  179    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
  180    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966
  181    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
  182    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
  183    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
  184    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
  185    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273
  186    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
  187    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
  188    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
  189    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
  190    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
  191   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
  192   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
  193   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
  194   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
  195   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
  196   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537
  197    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
  198    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
  199    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
  200    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
  201    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
  202    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
  203    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
  204    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
  205    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
  206    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
  207    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
  208    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
  209    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532
  210    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
  211    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
  212    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
  213    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
  214    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
  215    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
  216   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
  217   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123
  218    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
  219    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
  220    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
  221    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
  222    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530
  223    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
  224    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
  225    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
  226    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
  227    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
  228    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
  229    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
  230    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
  231    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
  232    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
  233    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
  234    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
  235    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021
  236    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
  237    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
  238    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
  239    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
  240    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
  241    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
  242   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
  243   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738
  244    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
  245    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
  246    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639
  247    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
  248    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
  249    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
  250    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877
  251    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
  252    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
  253    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
  254    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
  255    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
  256    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
  257    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
  258    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
  259    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287
  260    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
  261    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
  262    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
  263    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
  264    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595
  265    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
  266    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
  267    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
  268    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
  269    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727
  270    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
  271    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
  272    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
  273    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
  274    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293
  275    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
  276    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
  277    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
  278    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
  279    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
  280    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
  281    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
  282    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
  283    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
  284    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
  285    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
  286    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
  287    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182
  288    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
  289    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
  290    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
  291    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
  292    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719
  293    H    MET  40           H        MET  40   3.283  22.901  -7.429
  294    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
  295    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
  296    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
  297    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
  298    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
  299    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
  300    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
  301    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781
  302    H    MET  41           H        MET  41   2.275  20.921  -5.996
  303    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
  304    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
  305    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
  306    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
  307    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
  308    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
  309    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
  310    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481
  311    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
  312    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
  313    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
  314    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786
  315    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
  316    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
  317    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
  318    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
  319    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
  320    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
  321   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
  322   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225
  323    H    SER  44           H        SER  44   0.669  17.651  -9.028
  324    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
  325    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
  326    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
  327    HG   SER  44           HG       SER  44   3.156  14.484  -7.578
  328    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
  329    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
  330    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
  331    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
  332    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
  333    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
  334    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
  335    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
  336    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
  337   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
  338   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
  339   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
  340   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701
  341    H    MET  46           H        MET  46  -3.285  16.398  -9.625
  342    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
  343    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
  344    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
  345    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
  346    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
  347    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
  348    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
  349    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409
  350    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
  351    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
  352    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
  353    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
  354    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642
  355    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
  356    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
  357    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
  358    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
  359    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
  360   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
  361   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
  362   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
  363   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
  364   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
  365   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956
  366    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
  367    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
  368    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
  369    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
  370   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
  371   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772
  372    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
  373    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
  374    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
  375    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
  376    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
  377    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530
  378    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
  379    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
  380    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
  381    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
  382    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815
  383    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
  384    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
  385    HB2  HIS  52           HB2      HIS  52  -6.075   7.036  -8.749
  386    HB3  HIS  52           HB3      HIS  52  -7.532   7.691  -9.497
  387    HD1  HIS  52           HD1      HIS  52  -9.737   6.175  -9.270
  388    HD2  HIS  52           HD2      HIS  52  -6.560   5.107  -6.790
  389    HE1  HIS  52           HE1      HIS  52 -10.698   4.653  -7.493
  390    HE2  HIS  52           HE2      HIS  52  -8.776   3.997  -5.966
  391    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
  392    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
  393    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
  394    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
  395    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
  396   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
  397   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
  398   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
  399   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
  400   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
  401   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434
  402    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
  403    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
  404    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
  405   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
  406   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
  407   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
  408   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
  409   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
  410   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906
  411    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
  412    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
  413    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
  414    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
  415    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
  416    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
  417   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
  418   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712
  419    H    THR  56           H        THR  56  -9.246   3.072 -11.885
  420    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
  421    HB   THR  56           HB       THR  56 -11.911   3.575 -12.103
  422    HG1  THR  56           HG1      THR  56 -10.397   3.336  -9.770
  423   HG21  THR  56          HG21      THR  56 -13.331   1.689 -10.845
  424   HG23  THR  56          HG22      THR  56 -13.777   3.390 -10.783
  425   HG22  THR  56          HG23      THR  56 -12.895   2.665  -9.441
  426    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
  427    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
  428    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
  429    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
  430    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
  431    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
  432    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
  433    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
  434    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
  435    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
  436    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
  437    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
  438    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593
  439    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
  440    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
  441    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
  442    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
  443    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
  444   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
  445   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
  446   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
  447   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
  448   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
  449   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294
  450    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
  451    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
  452    HB   ILE  59           HB       ILE  59  -9.608  -1.968 -10.479
  453   HG12  ILE  59          HG12      ILE  59 -10.913  -4.291  -9.063
  454   HG13  ILE  59          HG13      ILE  59  -9.283  -4.363  -9.725
  455   HG23  ILE  59          HG21      ILE  59 -11.879  -1.088 -10.468
  456   HG22  ILE  59          HG22      ILE  59 -11.417  -1.497  -8.841
  457   HG21  ILE  59          HG23      ILE  59 -12.476  -2.547  -9.743
  458   HD13  ILE  59          HD11      ILE  59  -8.955  -3.740  -7.471
  459   HD12  ILE  59          HD12      ILE  59 -10.310  -2.617  -7.494
  460   HD11  ILE  59          HD13      ILE  59  -8.828  -2.229  -8.359
  461    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
  462    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
  463    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
  464    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
  465    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
  466    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243
  467    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
  468    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
  469    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645
  470    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
  471    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
  472    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
  473    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801
  474    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
  475    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
  476    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
  477    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
  478    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046
  479    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
  480    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
  481    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504
  482    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
  483    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
  484    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
  485    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
  486    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
  487    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375
  488    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
  489    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
  490    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692
  491    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
  492    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
  493    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
  494    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
  495    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
  496    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
  497    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
  498    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
  499    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
  500    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
  501    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
  502    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
  503    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057
  504    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
  505    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
  506    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
  507    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
  508    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
  509    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
  510    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
  511    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
  512    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555
  513    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
  514    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
  515    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
  516    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
  517    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
  518    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
  519    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
  520    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
  521    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
  522    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
  523    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
  524    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
  525    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822
  526    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
  527    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
  528    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
  529   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
  530   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
  531   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
  532   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
  533   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
  534   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258
  535    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
  536    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
  537    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
  538    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
  539    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942
  540    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
  541    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
  542    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
  543    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
  544    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
  545   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
  546   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
  547   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
  548   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
  549   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
  550   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031
  551    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
  552    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
  553    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
  554   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
  555   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
  556   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
  557   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
  558   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
  559   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242
  560    H    LEU  74           H        LEU  74  -3.301  -7.026 -13.428
  561    HA   LEU  74           HA       LEU  74  -3.974  -4.408 -12.845
  562    HB2  LEU  74           HB2      LEU  74  -5.642  -6.164 -12.778
  563    HB3  LEU  74           HB3      LEU  74  -4.798  -6.980 -11.467
  564    HG   LEU  74           HG       LEU  74  -5.219  -4.965 -10.018
  565   HD12  LEU  74          HD11      LEU  74  -7.028  -3.406 -10.827
  566   HD11  LEU  74          HD12      LEU  74  -6.840  -4.111 -12.433
  567   HD13  LEU  74          HD13      LEU  74  -5.499  -3.239 -11.687
  568   HD22  LEU  74          HD21      LEU  74  -7.242  -5.804  -9.346
  569   HD21  LEU  74          HD22      LEU  74  -6.850  -7.075 -10.500
  570   HD23  LEU  74          HD23      LEU  74  -7.929  -5.759 -10.972
  571    H    VAL  75           H        VAL  75  -2.255  -6.782 -10.911
  572    HA   VAL  75           HA       VAL  75  -2.058  -5.268  -8.530
  573    HB   VAL  75           HB       VAL  75  -0.331  -7.476  -9.646
  574   HG11  VAL  75          HG11      VAL  75  -0.041  -5.759  -7.263
  575   HG13  VAL  75          HG12      VAL  75   1.132  -6.824  -8.031
  576   HG12  VAL  75          HG13      VAL  75  -0.043  -7.479  -6.901
  577   HG21  VAL  75          HG21      VAL  75  -2.732  -7.997  -9.164
  578   HG23  VAL  75          HG22      VAL  75  -2.476  -7.478  -7.499
  579   HG22  VAL  75          HG23      VAL  75  -1.617  -8.885  -8.125
  580    H    HIS  76           H        HIS  76   0.116  -5.653 -11.293
  581    HA   HIS  76           HA       HIS  76   2.277  -4.215 -10.288
  582    HB2  HIS  76           HB2      HIS  76   2.056  -5.574 -12.476
  583    HB3  HIS  76           HB3      HIS  76   1.454  -4.073 -13.180
  584    HD1  HIS  76           HD1      HIS  76   3.234  -2.594 -14.096
  585    HD2  HIS  76           HD2      HIS  76   4.686  -5.035 -11.045
  586    HE1  HIS  76           HE1      HIS  76   5.709  -2.092 -13.890
  587    H    ALA  77           H        ALA  77  -0.560  -3.078 -12.104
  588    HA   ALA  77           HA       ALA  77   0.203  -0.330 -12.094
  589    HB3  ALA  77           HB1      ALA  77  -1.389  -0.699 -13.713
  590    HB2  ALA  77           HB2      ALA  77  -2.444  -0.153 -12.410
  591    HB1  ALA  77           HB3      ALA  77  -2.264  -1.877 -12.736
  592    H    GLN  78           H        GLN  78  -1.813  -2.346  -9.980
  593    HA   GLN  78           HA       GLN  78  -2.794  -0.267  -8.325
  594    HB2  GLN  78           HB2      GLN  78  -3.580  -2.710  -8.491
  595    HB3  GLN  78           HB3      GLN  78  -2.255  -3.080  -7.387
  596    HG2  GLN  78           HG2      GLN  78  -3.152  -1.414  -5.782
  597    HG3  GLN  78           HG3      GLN  78  -4.499  -1.109  -6.875
  598   HE21  GLN  78          HE21      GLN  78  -5.461  -1.955  -4.558
  599   HE22  GLN  78          HE22      GLN  78  -5.835  -3.610  -4.553
  600    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
  601    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
  602    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
  603    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
  604    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
  605   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
  606   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
  607   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
  608   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
  609   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
  610   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375
  611    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
  612    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
  613    HB2  HIS  80           HB2      HIS  80   2.357   0.871 -10.472
  614    HB3  HIS  80           HB3      HIS  80   2.991   2.509 -10.298
  615    HD1  HIS  80           HD1      HIS  80   5.484   2.786 -10.495
  616    HD2  HIS  80           HD2      HIS  80   4.408  -1.191  -9.856
  617    HE1  HIS  80           HE1      HIS  80   7.608   1.424 -10.721
  618    HE2  HIS  80           HE2      HIS  80   6.968  -1.002 -10.333
  619    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
  620    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
  621    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
  622    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
  623    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
  624   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
  625   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
  626   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
  627   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
  628   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
  629   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026
  630    H    MET  82           H        MET  82  -0.711   1.814  -6.288
  631    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
  632    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
  633    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
  634    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
  635    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
  636    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
  637    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
  638    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611
  639    H    THR  83           H        THR  83   1.536   2.323  -4.890
  640    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
  641    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
  642    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
  643   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
  644   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
  645   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836
  646    H    SER  84           H        SER  84   2.375   4.709  -5.891
  647    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
  648    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
  649    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
  650    HG   SER  84           HG       SER  84   3.692   5.473  -7.721
  651    H    MET  85           H        MET  85   0.214   6.386  -5.264
  652    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
  653    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
  654    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
  655    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
  656    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
  657    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
  658    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
  659    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061
  660    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
  661    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
  662    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
  663    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
  664    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
  665   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
  666   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
  667   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
  668   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
  669   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
  670   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205
  671    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
  672    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
  673    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
  674    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
  675    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893
  676    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
  677    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
  678    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
  679    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
  680    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
  681    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
  682    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
  683    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
  684    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
  685   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
  686   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
  687   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
  688   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598
  689    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
  690    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
  691    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
  692    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
  693    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
  694    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471
  695    H    LEU  90           H        LEU  90   1.882  10.928   1.173
  696    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
  697    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
  698    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
  699    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
  700   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
  701   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
  702   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
  703   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
  704   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
  705   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555
  706    H    ILE  91           H        ILE  91   3.840  12.556   0.576
  707    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
  708    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
  709   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
  710   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
  711   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
  712   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
  713   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
  714   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
  715   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
  716   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809
  717    H    THR  92           H        THR  92   2.455  14.820   0.408
  718    HA   THR  92           HA       THR  92   2.429  17.644   0.349
  719    HB   THR  92           HB       THR  92   0.261  15.649   1.048
  720    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
  721   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
  722   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
  723   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006
  724    H    GLU  93           H        GLU  93   1.881  15.343   3.002
  725    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
  726    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
  727    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
  728    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
  729    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579
  730    H    LEU  94           H        LEU  94   4.356  15.764   3.870
  731    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
  732    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
  733    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
  734    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
  735   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
  736   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
  737   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
  738   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
  739   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
  740   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436
  741    H    ILE  95           H        ILE  95   4.968  18.083   2.609
  742    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
  743    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
  744   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
  745   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
  746   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
  747   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
  748   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
  749   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
  750   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
  751   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302
  752    H    GLU  96           H        GLU  96   3.292  19.789   3.846
  753    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
  754    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
  755    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
  756    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
  757    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678
  758    H    LEU  97           H        LEU  97   4.515  19.883   6.222
  759    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
  760    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
  761    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
  762    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
  763   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
  764   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
  765   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
  766   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
  767   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
  768   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784
  769    H    HIS  98           H        HIS  98   6.744  21.246   5.666
  770    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
  771    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
  772    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
  773    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
  774    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
  775    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
  776    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349
  777    H    GLU  99           H        GLU  99   5.679  23.662   5.392
  778    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
  779    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
  780    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
  781    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
  782    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756
  783    H    LYS 100           H        LYS 100   4.929  24.242   7.856
  784    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
  785    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
  786    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
  787    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
  788    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
  789    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
  790    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
  791    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
  792    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
  793    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
  794    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
  795    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200
  796    H    LEU 101           H        LEU 101   7.266  24.497   8.915
  797    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
  798    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
  799    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
  800    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
  801   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
  802   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
  803   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
  804   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
  805   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
  806   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130
  807    H    LYS 102           H        LYS 102   7.286  27.200   8.979
  808    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
  809    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
  810    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
  811    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
  812    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
  813    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
  814    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
  815    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
  816    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
  817    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
  818    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
  819    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970
  820    H    ALA 103           H        ALA 103  10.621  28.148   8.122
  821    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
  822    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
  823    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
  824    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =         824
  In of MODEL    1
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417
   16    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
   17    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
   18    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
   19    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
   20    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
   21    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
   22    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
   23    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
   24    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   25    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   26    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   27    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   28    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721
   29    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
   30    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
   31    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
   32    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
   33    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
   34    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
   35    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
   36    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223
   37    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
   38    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
   39    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
   40   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
   41   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
   42   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
   43   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
   44   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
   45   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   46   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   47   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668
   48    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
   49    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
   50    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
   51    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
   52    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
   53    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
   54    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
   55    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
   56    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540
   57    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
   58    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
   59    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
   60    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
   61    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
   62   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
   63   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
   64   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
   65   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   66   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   67   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350
   68    H    PHE   9           H        PHE   9 -21.312   0.653  -3.923
   69    HA   PHE   9           HA       PHE   9 -18.553   1.578  -4.480
   70    HB2  PHE   9           HB2      PHE   9 -20.439   2.437  -2.291
   71    HB3  PHE   9           HB3      PHE   9 -18.732   2.877  -2.358
   72    HD1  PHE   9           HD1      PHE   9 -22.053   3.510  -3.692
   73    HD2  PHE   9           HD2      PHE   9 -17.858   4.183  -4.325
   74    HE1  PHE   9           HE1      PHE   9 -22.585   5.335  -5.284
   75    HE2  PHE   9           HE2      PHE   9 -18.391   6.008  -5.919
   76    HZ   PHE   9           HZ       PHE   9 -20.755   6.583  -6.398
   77    H    CYS  10           H        CYS  10 -16.851   0.899  -3.122
   78    HA   CYS  10           HA       CYS  10 -17.136  -0.764  -0.768
   79    HB2  CYS  10           HB2      CYS  10 -15.823  -2.695  -1.440
   80    HB3  CYS  10           HB3      CYS  10 -17.172  -2.584  -2.569
   81    H    SER  11           H        SER  11 -14.350  -1.423  -0.408
   82    HA   SER  11           HA       SER  11 -13.367   1.228  -0.102
   83    HB2  SER  11           HB2      SER  11 -11.122  -0.224   0.219
   84    HB3  SER  11           HB3      SER  11 -12.330  -0.022   1.467
   85    HG   SER  11           HG       SER  11 -12.283  -2.158   1.338
   86    H    ALA  12           H        ALA  12 -12.156  -1.375  -2.287
   87    HA   ALA  12           HA       ALA  12 -10.687   0.738  -3.748
   88    HB2  ALA  12           HB1      ALA  12  -9.729  -1.708  -4.689
   89    HB1  ALA  12           HB2      ALA  12  -9.996  -1.970  -2.956
   90    HB3  ALA  12           HB3      ALA  12  -8.952  -0.656  -3.505
   91    H    GLY  13           H        GLY  13 -13.181  -1.648  -4.149
   92    HA3  GLY  13           HA2      GLY  13 -14.821  -1.421  -5.949
   93    HA2  GLY  13           HA3      GLY  13 -13.579  -0.659  -6.902
   94    H    MET  14           H        MET  14 -12.836  -3.679  -5.216
   95    HA   MET  14           HA       MET  14 -12.600  -4.959  -7.853
   96    HB2  MET  14           HB2      MET  14 -10.584  -4.651  -6.344
   97    HB3  MET  14           HB3      MET  14 -11.331  -5.814  -5.261
   98    HG2  MET  14           HG2      MET  14 -11.433  -7.436  -7.191
   99    HG3  MET  14           HG3      MET  14 -10.475  -6.287  -8.123
  100    HE3  MET  14           HE1      MET  14  -8.304  -9.096  -7.637
  101    HE2  MET  14           HE2      MET  14  -7.427  -7.603  -7.948
  102    HE1  MET  14           HE3      MET  14  -9.007  -7.855  -8.681
  103    H    SER  15           H        SER  15 -12.928  -6.271  -4.582
  104    HA   SER  15           HA       SER  15 -14.063  -8.644  -5.305
  105    HB2  SER  15           HB2      SER  15 -14.478  -6.920  -2.917
  106    HB3  SER  15           HB3      SER  15 -15.261  -8.488  -3.062
  107    HG   SER  15           HG       SER  15 -13.150  -9.369  -3.416
  108    H    THR  16           H        THR  16 -15.610  -5.471  -5.370
  109    HA   THR  16           HA       THR  16 -18.275  -6.597  -5.630
  110    HB   THR  16           HB       THR  16 -17.275  -3.755  -5.930
  111    HG1  THR  16           HG1      THR  16 -16.945  -4.063  -3.864
  112   HG21  THR  16          HG21      THR  16 -20.004  -4.999  -5.602
  113   HG23  THR  16          HG22      THR  16 -19.424  -4.011  -6.942
  114   HG22  THR  16          HG23      THR  16 -19.692  -3.280  -5.360
  115    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
  116    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
  117    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
  118    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
  119    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842
  120    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
  121    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
  122    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
  123    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
  124    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
  125   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
  126   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
  127   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
  128   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
  129   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
  130   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422
  131    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
  132    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
  133    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
  134    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
  135    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
  136   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
  137   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
  138   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
  139   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
  140   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
  141   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404
  142    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
  143    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
  144    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
  145   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
  146   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
  147   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
  148   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
  149   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
  150   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291
  151    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
  152    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
  153    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
  154    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
  155    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664
  156    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
  157    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
  158    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
  159    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
  160    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
  161    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
  162    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
  163    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
  164    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
  165    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
  166    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
  167    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
  168    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060
  169    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
  170    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
  171    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
  172    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
  173    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
  174    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
  175    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
  176    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
  177    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788
  178    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
  179    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
  180    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
  181    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
  182    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
  183    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
  184    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
  185    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
  186    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
  187   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
  188   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
  189   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
  190   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016
  191    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
  192    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
  193    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
  194    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
  195    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906
  196    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
  197    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
  198    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
  199    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
  200    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
  201    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
  202   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
  203   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517
  204    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
  205    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
  206    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
  207    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
  208    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846
  209    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
  210    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
  211    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
  212    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
  213    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
  214    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749
  215    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
  216    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
  217    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
  218    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
  219    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
  220    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
  221    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
  222    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
  223    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
  224    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
  225    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
  226    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
  227    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064
  228    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
  229    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
  230    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
  231    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
  232    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
  233    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
  234    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
  235    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
  236    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683
  237    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
  238    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
  239    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
  240    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
  241    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
  242    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121
  243    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
  244    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
  245    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
  246   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
  247   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
  248   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
  249   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
  250   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
  251   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =         251
  In of MODEL    1
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572
    8    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    9    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
   10    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
   11   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
   12   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
   13   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
   14   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
   15   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
   16   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699
   17    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
   18    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
   19    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
   20   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
   21   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
   22   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
   23   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
   24   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
   25   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   26   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   27   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699
   28    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
   29    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
   30    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
   31   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
   32   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
   33   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
   34   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
   35   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
   36   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   37   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   38   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807
   39    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
   40    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
   41    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
   42    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
   43    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
   44    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709
   45    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
   46    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
   47    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
   48    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
   49    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369
   50    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
   51    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
   52    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
   53    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
   54    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
   55    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
   56    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
   57    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
   58    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =          58
  In of MODEL    1
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893
    8    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    9    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
   10    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
   11    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
   12    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
   13    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220
   14    H    THR  42           H        THR  42 -13.868   5.277  -1.600
   15    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
   16    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
   17    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
   18   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
   19   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
   20   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285
   21    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
   22    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
   23    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
   24    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
   25    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
   26   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
   27   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
   28   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
   29   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   30   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   31   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561
   32    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
   33    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
   34    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
   35    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
   36    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020
   37    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
   38    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
   39    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200
   40    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
   41    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
   42    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
   43    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
   44    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
   45    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948
   46    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
   47    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
   48    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
   49    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
   50    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
   51    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
   52    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
   53    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
   54    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   55    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   56    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   57    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   58    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958
   59    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
   60    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
   61    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525
   62    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
   63    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
   64    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
   65    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
   66    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
   67    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
   68   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
   69   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548
   70    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
   71    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
   72    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
   73    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
   74   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
   75   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022
   76    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
   77    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
   78    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
   79    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
   80    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708
   81    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
   82    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
   83    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
   84    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729
   85    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
   86    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
   87    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
   88   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
   89   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
   90   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
   91   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
   92   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
   93   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730
   94    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
   95    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
   96    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
   97   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
   98   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
   99   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
  100   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
  101   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
  102   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671
  103    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
  104    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
  105    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
  106    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
  107    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
  108   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
  109   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
  110   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
  111   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
  112   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
  113   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783
  114    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
  115    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
  116    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
  117    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
  118    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
  119   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
  120   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
  121   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
  122   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
  123   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
  124   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345
  125    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
  126    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
  127    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =         127
  In of MODEL    1
    1    HA   PRO  58           HA       PRO  58 -23.312  -4.439   3.147
    2    HB2  PRO  58           HB2      PRO  58 -21.995  -6.861   3.642
    3    HB3  PRO  58           HB3      PRO  58 -23.537  -6.674   2.865
    4    HG2  PRO  58           HG2      PRO  58 -20.969  -7.158   1.720
    5    HG3  PRO  58           HG3      PRO  58 -22.499  -7.579   1.158
    6    HD2  PRO  58           HD2      PRO  58 -21.000  -5.655   0.047
    7    HD3  PRO  58           HD3      PRO  58 -22.747  -5.705  -0.049
    8    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    9    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
   10    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
   11    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
   12    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
   13    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
   14   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
   15   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466
   16    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
   17    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
   18    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
   19   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
   20   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
   21   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
   22   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
   23   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
   24   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   25   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   26   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018
   27    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
   28    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
   29    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
   30    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
   31    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489
   32    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
   33    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
   34    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
   35    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
   36    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
   37    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
   38    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
   39    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
   40    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335
   41    H    MET  63           H        MET  63 -21.626   2.379   6.419
   42    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
   43    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
   44    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
   45    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
   46    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
   47    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
   48    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
   49    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211
   50    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
   51    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
   52    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
   53    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
   54    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
   55   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
   56   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
   57   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
   58   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   59   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   60   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          60
  In of MODEL    1
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841
    8    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    9    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
   10    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
   11    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
   12    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
   13    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215
   14    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
   15    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
   16    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
   17   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
   18   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
   19   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
   20   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
   21   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
   22   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   23   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   24   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163
   25    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
   26    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
   27    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
   28    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
   29    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
   30    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
   31   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
   32   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382
   33    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
   34    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
   35    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
   36    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
   37    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
   38    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
   39    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
   40    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
   41    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   42   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   43   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   44   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   45   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871
   46    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
   47    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
   48    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
   49    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
   50    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
   51   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
   52   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
   53   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
   54   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   55   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   56   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153
   57    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
   58    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
   59    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
   60    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
   61    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
   62   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
   63   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
   64   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
   65   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   66   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   67   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          67
  In of MODEL    1
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079
    8    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    9    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
   10    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
   11    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
   12   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
   13   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092
   14    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
   15    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
   16    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
   17    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
   18    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
   19    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
   20    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
   21    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
   22    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   23    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   24    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   25    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   26    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          26
  In of MODEL    1
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915
    8    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    9    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
   10    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
   11   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
   12   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
   13   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
   14   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
   15   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
   16   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657
   17    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
   18    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
   19    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
   20    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
   21    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
   22    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821
   23    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
   24    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
   25    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
   26   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
   27   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
   28   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
   29   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
   30   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
   31   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980
   32    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
   33    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
   34    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
   35   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
   36   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
   37   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
   38   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
   39   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
   40   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   41   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   42   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173
   43    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
   44    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
   45    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
   46    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814
   47    H    SER  81           H        SER  81 -27.000  -8.344   2.826
   48    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
   49    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
   50    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
   51    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484
   52    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
   53    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
   54    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
   55    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
   56    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
   57   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
   58   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
   59   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
   60   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   61   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   62   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057
   63    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
   64    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
   65    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
   66    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
   67    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
   68   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
   69   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
   70   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
   71   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   72   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   73   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121
   74    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
   75    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
   76    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
   77    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
   78    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
   79    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
   80    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
   81    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
   82    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044
   83    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
   84    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
   85    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011
   86    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
   87    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
   88    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
   89    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
   90    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
   91    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
   92    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
   93    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
   94    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   95    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   96    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   97    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   98    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880
   99    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
  100    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
  101    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
  102   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
  103   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
  104   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
  105   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
  106   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
  107   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307
  108    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
  109    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
  110    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
  111    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973
  112    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
  113    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
  114    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403
  115    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
  116    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
  117    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
  118    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
  119    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
  120   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
  121   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
  122   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
  123   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
  124   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
  125   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357
  126    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
  127    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
  128    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903
  129    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
  130    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
  131    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
  132   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
  133   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
  134   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
  135   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
  136   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
  137   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252
  138    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
  139    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
  140    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
  141    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
  142    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
  143   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
  144   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
  145   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
  146   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
  147   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
  148   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319
  149    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
  150    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
  151    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
  152    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
  153    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
  154    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
  155    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
  156    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
  157    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
  158    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
  159    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
  160    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
  161    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426
  162    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
  163    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
  164    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
  165    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
  166    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961
  167    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
  168    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
  169    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
  170    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
  171    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161
  172    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
  173    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
  174    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
  175   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
  176   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
  177   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
  178   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
  179   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
  180   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282
  181    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
  182    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
  183    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
  184    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
  185    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890
  186    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
  187    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
  188    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
  189    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
  190    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535
  191    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
  192    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
  193    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
  194   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
  195   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
  196   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
  197   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
  198   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
  199   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
  200   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
  201   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131
  202    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
  203    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
  204    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
  205    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
  206    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
  207    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
  208    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
  209    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
  210    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
  211    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
  212    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
  213    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
  214    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731
  215    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
  216    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
  217    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
  218    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
  219    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
  220    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
  221    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
  222    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
  223    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
  224    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
  225    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
  226    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
  227    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919
  228    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
  229    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
  230    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
  231    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
  232    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356
  233    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
  234    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
  235    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
  236    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
  237    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565
  238    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
  239    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
  240    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
  241    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
  242    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =         242
  In of MODEL    2
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.286 -14.280  -2.731
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.931  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.579 -11.560  -2.349
    6    HG3  GLU   5           HG3      GLU   5 -13.140 -11.870  -3.319

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL    2
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL    2
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL    2
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.708  -8.431   1.543
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.709   1.343
    5    HG2  MET   9           HG2      MET   9 -14.275  -6.792  -0.970
    6    HG3  MET   9           HG3      MET   9 -13.807  -8.482  -0.789
    7    HE1  MET   9           HE1      MET   9 -16.307  -5.846  -0.708
    8    HE3  MET   9           HE2      MET   9 -17.310  -6.638   0.502
    9    HE2  MET   9           HE3      MET   9 -17.864  -6.545  -1.162

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.381   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.255  -6.176   0.968
    5   HG13  ILE  12          HG13      ILE  12  -9.698  -5.423  -0.551
    6   HG22  ILE  12          HG21      ILE  12  -8.735  -2.631   0.189
    7   HG21  ILE  12          HG22      ILE  12 -10.229  -2.036   0.917
    8   HG23  ILE  12          HG23      ILE  12 -10.279  -2.983  -0.575
    9   HD12  ILE  12          HD11      ILE  12  -7.164  -5.021   1.047
   10   HD11  ILE  12          HD12      ILE  12  -7.634  -3.977  -0.283
   11   HD13  ILE  12          HD13      ILE  12  -7.340  -5.687  -0.569

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.236
    4   HG12  ILE  13          HG12      ILE  13 -13.491  -3.069   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.919  -3.529   3.577
    6   HG23  ILE  13          HG21      ILE  13 -13.688  -1.796   6.723
    7   HG22  ILE  13          HG22      ILE  13 -15.150  -1.918   5.745
    8   HG21  ILE  13          HG23      ILE  13 -13.959  -0.664   5.398
    9   HD13  ILE  13          HD11      ILE  13 -15.797  -1.375   3.554
   10   HD12  ILE  13          HD12      ILE  13 -14.949  -1.390   2.013
   11   HD11  ILE  13          HD13      ILE  13 -14.209  -0.625   3.416

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL    2
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL    2
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL    2
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL    2
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL    2
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL    2
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL    2
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL    2
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL    2
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL    2
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL    2
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.961  -6.662  10.586
    4    HB3  HIS  52           HB3      HIS  52  -1.096  -7.773  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.224 -10.117  11.651
    6    HD2  HIS  52           HD2      HIS  52   1.294  -7.075   9.009
    7    HE1  HIS  52           HE1      HIS  52   2.448 -10.793  10.644
    8    HE2  HIS  52           HE2      HIS  52   3.115  -8.947   9.032

  No H/Q in entry =           8
  In of MODEL    2
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL    2
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL    2
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.097 -14.215  10.983
    4    HG1  THR  56           HG1      THR  56   0.911 -12.415  10.134
    5   HG21  THR  56          HG21      THR  56   0.959 -15.681   9.968
    6   HG23  THR  56          HG22      THR  56   0.866 -15.204  11.662
    7   HG22  THR  56          HG23      THR  56   1.843 -14.265  10.536

  No H/Q in entry =           7
  In of MODEL    2
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.911
    4   HG12  ILE  59          HG12      ILE  59   2.414 -16.231   3.466
    5   HG13  ILE  59          HG13      ILE  59   1.141 -15.376   2.609
    6   HG21  ILE  59          HG21      ILE  59   1.117 -16.012   6.801
    7   HG23  ILE  59          HG22      ILE  59   2.392 -15.066   6.081
    8   HG22  ILE  59          HG23      ILE  59   2.279 -16.785   5.737
    9   HD11  ILE  59          HD11      ILE  59   1.830 -13.296   3.917
   10   HD13  ILE  59          HD12      ILE  59   2.976 -13.858   2.699
   11   HD12  ILE  59          HD13      ILE  59   3.263 -14.201   4.404

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL    2
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL    2
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL    2
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL    2
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL    2
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  74           H        LEU  74  -4.291 -13.681  -2.346
    2    HA   LEU  74           HA       LEU  74  -3.886 -12.583   0.163
    3    HB2  LEU  74           HB2      LEU  74  -2.974 -14.721  -0.513
    4    HB3  LEU  74           HB3      LEU  74  -1.967 -13.949  -1.733
    5    HG   LEU  74           HG       LEU  74  -0.746 -12.756   0.065
    6   HD13  LEU  74          HD11      LEU  74  -2.237 -12.562   1.863
    7   HD12  LEU  74          HD12      LEU  74  -1.162 -13.845   2.414
    8   HD11  LEU  74          HD13      LEU  74  -2.748 -14.246   1.754
    9   HD22  LEU  74          HD21      LEU  74   0.642 -14.592   0.528
   10   HD21  LEU  74          HD22      LEU  74  -0.282 -15.208  -0.830
   11   HD23  LEU  74          HD23      LEU  74  -0.725 -15.668   0.810

  No H/Q in entry =          11
  In of MODEL    2
    1    H    VAL  75           H        VAL  75  -2.673 -11.566  -2.928
    2    HA   VAL  75           HA       VAL  75  -0.718  -9.738  -1.889
    3    HB   VAL  75           HB       VAL  75  -2.010  -9.851  -4.633
    4   HG11  VAL  75          HG11      VAL  75   0.176  -8.228  -3.420
    5   HG13  VAL  75          HG12      VAL  75  -0.968  -7.801  -4.691
    6   HG12  VAL  75          HG13      VAL  75   0.426  -8.812  -5.064
    7   HG23  VAL  75          HG21      VAL  75   0.648 -11.007  -3.713
    8   HG22  VAL  75          HG22      VAL  75  -0.091 -11.187  -5.303
    9   HG21  VAL  75          HG23      VAL  75  -0.827 -11.955  -3.899

  No H/Q in entry =           9
  In of MODEL    2
    1    H    HIS  76           H        HIS  76  -4.311  -9.316  -3.266
    2    HA   HIS  76           HA       HIS  76  -4.647  -6.552  -3.159
    3    HB2  HIS  76           HB2      HIS  76  -6.371  -8.123  -4.049
    4    HB3  HIS  76           HB3      HIS  76  -6.747  -8.613  -2.403
    5    HD1  HIS  76           HD1      HIS  76  -6.015  -4.990  -2.748
    6    HD2  HIS  76           HD2      HIS  76  -9.421  -7.413  -2.962
    7    HE1  HIS  76           HE1      HIS  76  -8.024  -3.433  -2.613

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ALA  77           H        ALA  77  -4.706  -8.932  -0.592
    2    HA   ALA  77           HA       ALA  77  -5.526  -7.024   1.438
    3    HB2  ALA  77           HB1      ALA  77  -4.814  -9.022   2.958
    4    HB1  ALA  77           HB2      ALA  77  -4.737  -9.923   1.444
    5    HB3  ALA  77           HB3      ALA  77  -6.256  -9.185   1.953

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLN  78           H        GLN  78  -2.509  -8.756   0.557
    2    HA   GLN  78           HA       GLN  78  -0.935  -7.693   2.639
    3    HB2  GLN  78           HB2      GLN  78  -0.404  -9.639   1.050
    4    HB3  GLN  78           HB3      GLN  78   0.113  -8.407  -0.100
    5    HG2  GLN  78           HG2      GLN  78   1.712  -7.533   1.557
    6    HG3  GLN  78           HG3      GLN  78   1.203  -8.768   2.704
    7   HE21  GLN  78          HE21      GLN  78   1.969  -8.930  -0.826
    8   HE22  GLN  78          HE22      GLN  78   3.111 -10.175  -0.661

  No H/Q in entry =           8
  In of MODEL    2
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL    2
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.182
    4    HB3  HIS  80           HB3      HIS  80  -5.391  -2.798   2.199
    5    HD1  HIS  80           HD1      HIS  80  -6.720  -0.964   1.159
    6    HD2  HIS  80           HD2      HIS  80  -5.029  -3.464  -1.717
    7    HE1  HIS  80           HE1      HIS  80  -7.594  -0.166  -1.089
    8    HE2  HIS  80           HE2      HIS  80  -6.569  -1.685  -2.851

  No H/Q in entry =           8
  In of MODEL    2
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL    2
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL    2
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL    2
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL    2
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL    2
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL    2
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL    2
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.422 -20.432  -4.408
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.476
    5    HG2  GLU   5           HG2      GLU   5  10.900 -19.846  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.486 -19.331  -2.389

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL    2
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL    2
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL    2
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.036 -16.707   0.857
    4    HB3  MET   9           HB3      MET   9  13.730 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.339 -16.589   2.243
    6    HG3  MET   9           HG3      MET   9  11.583 -17.041   0.555
    7    HE1  MET   9           HE1      MET   9  12.252 -17.530   4.112
    8    HE3  MET   9           HE2      MET   9  13.876 -18.154   3.835
    9    HE2  MET   9           HE3      MET   9  12.601 -19.243   4.377

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.314
    4   HG12  ILE  12          HG12      ILE  12  10.856 -11.574  -0.011
    5   HG13  ILE  12          HG13      ILE  12   9.635 -12.255   1.045
    6   HG21  ILE  12          HG21      ILE  12   9.708  -9.778   3.041
    7   HG23  ILE  12          HG22      ILE  12  10.851 -10.559   4.133
    8   HG22  ILE  12          HG23      ILE  12   9.525 -11.486   3.434
    9   HD12  ILE  12          HD11      ILE  12   9.868  -9.414   0.054
   10   HD11  ILE  12          HD12      ILE  12   8.814  -9.869   1.381
   11   HD13  ILE  12          HD13      ILE  12   8.565 -10.562  -0.216

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.105 -11.633   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.812 -12.620   4.656
    5   HG13  ILE  13          HG13      ILE  13  15.289 -13.528   4.954
    6   HG23  ILE  13          HG21      ILE  13  17.352 -10.391   5.441
    7   HG22  ILE  13          HG22      ILE  13  17.088 -11.963   6.194
    8   HG21  ILE  13          HG23      ILE  13  16.109 -10.578   6.677
    9   HD13  ILE  13          HD11      ILE  13  15.254 -13.100   7.232
   10   HD12  ILE  13          HD12      ILE  13  13.524 -13.077   6.901
   11   HD11  ILE  13          HD13      ILE  13  14.416 -11.562   7.032

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL    2
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL    2
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL    2
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL    2
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL    2
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL    2
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL    2
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL    2
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL    2
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL    2
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL    2
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.340  -1.676  -5.673
    4    HB3  HIS  52           HB3      HIS  52  17.783  -1.774  -6.683
    5    HD1  HIS  52           HD1      HIS  52  17.312  -2.097  -9.327
    6    HD2  HIS  52           HD2      HIS  52  14.057  -0.859  -7.037
    7    HE1  HIS  52           HE1      HIS  52  15.595  -1.192 -10.954
    8    HE2  HIS  52           HE2      HIS  52  13.605  -0.431  -9.573

  No H/Q in entry =           8
  In of MODEL    2
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL    2
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL    2
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.454 -12.060
    4    HG1  THR  56           HG1      THR  56  15.984  -3.387 -11.485
    5   HG21  THR  56          HG21      THR  56  16.278  -5.082 -14.266
    6   HG23  THR  56          HG22      THR  56  17.779  -4.200 -13.987
    7   HG22  THR  56          HG23      THR  56  16.233  -3.458 -13.583

  No H/Q in entry =           7
  In of MODEL    2
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.837  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.900  -6.988 -14.838
    5   HG13  ILE  59          HG13      ILE  59   9.523  -7.872 -13.367
    6   HG21  ILE  59          HG21      ILE  59  13.406  -6.453 -14.307
    7   HG23  ILE  59          HG22      ILE  59  12.105  -5.313 -14.089
    8   HG22  ILE  59          HG23      ILE  59  12.084  -6.411 -15.460
    9   HD11  ILE  59          HD11      ILE  59  10.123  -5.747 -12.088
   10   HD13  ILE  59          HD12      ILE  59   8.639  -5.683 -13.038
   11   HD12  ILE  59          HD13      ILE  59  10.110  -4.925 -13.648

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL    2
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL    2
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL    2
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL    2
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL    2
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  74           H        LEU  74   7.008 -13.169  -8.614
    2    HA   LEU  74           HA       LEU  74   8.956 -11.249  -8.143
    3    HB2  LEU  74           HB2      LEU  74   8.295 -11.948 -10.367
    4    HB3  LEU  74           HB3      LEU  74   6.671 -11.315 -10.125
    5    HG   LEU  74           HG       LEU  74   7.621  -9.031  -9.924
    6   HD13  LEU  74          HD11      LEU  74   9.821  -9.299  -9.159
    7   HD12  LEU  74          HD12      LEU  74  10.065  -8.905 -10.860
    8   HD11  LEU  74          HD13      LEU  74  10.176 -10.579 -10.317
    9   HD22  LEU  74          HD21      LEU  74   7.737  -8.733 -12.250
   10   HD21  LEU  74          HD22      LEU  74   6.979 -10.312 -12.154
   11   HD23  LEU  74          HD23      LEU  74   8.704 -10.188 -12.478

  No H/Q in entry =          11
  In of MODEL    2
    1    H    VAL  75           H        VAL  75   5.488 -11.043  -7.823
    2    HA   VAL  75           HA       VAL  75   5.360  -8.240  -7.305
    3    HB   VAL  75           HB       VAL  75   3.437 -10.459  -6.540
    4   HG11  VAL  75          HG11      VAL  75   3.361  -7.479  -6.291
    5   HG13  VAL  75          HG12      VAL  75   2.698  -8.711  -5.216
    6   HG12  VAL  75          HG13      VAL  75   1.869  -8.316  -6.721
    7   HG23  VAL  75          HG21      VAL  75   3.367  -8.528  -8.889
    8   HG22  VAL  75          HG22      VAL  75   2.230  -9.837  -8.571
    9   HG21  VAL  75          HG23      VAL  75   3.899 -10.206  -8.996

  No H/Q in entry =           9
  In of MODEL    2
    1    H    HIS  76           H        HIS  76   5.556 -11.180  -5.122
    2    HA   HIS  76           HA       HIS  76   5.278  -9.911  -2.650
    3    HB2  HIS  76           HB2      HIS  76   5.439 -12.407  -3.074
    4    HB3  HIS  76           HB3      HIS  76   7.188 -12.192  -3.171
    5    HD1  HIS  76           HD1      HIS  76   5.078 -10.188  -0.790
    6    HD2  HIS  76           HD2      HIS  76   7.704 -13.424  -0.660
    7    HE1  HIS  76           HE1      HIS  76   5.570 -10.614   1.657

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ALA  77           H        ALA  77   8.199 -10.435  -4.610
    2    HA   ALA  77           HA       ALA  77   9.956  -9.141  -2.762
    3    HB3  ALA  77           HB1      ALA  77  11.393  -8.964  -4.952
    4    HB2  ALA  77           HB2      ALA  77  10.149 -10.016  -5.624
    5    HB1  ALA  77           HB3      ALA  77  11.092 -10.546  -4.231

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLN  78           H        GLN  78   8.187  -8.080  -5.650
    2    HA   GLN  78           HA       GLN  78   9.296  -5.480  -5.783
    3    HB2  GLN  78           HB2      GLN  78   7.907  -6.747  -7.544
    4    HB3  GLN  78           HB3      GLN  78   6.495  -6.197  -6.643
    5    HG2  GLN  78           HG2      GLN  78   7.228  -3.863  -6.911
    6    HG3  GLN  78           HG3      GLN  78   8.642  -4.406  -7.812
    7   HE21  GLN  78          HE21      GLN  78   5.174  -5.403  -7.985
    8   HE22  GLN  78          HE22      GLN  78   5.027  -5.101  -9.649

  No H/Q in entry =           8
  In of MODEL    2
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL    2
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.176  -7.448  -0.519
    4    HB3  HIS  80           HB3      HIS  80  10.035  -6.563   0.744
    5    HD1  HIS  80           HD1      HIS  80   9.385  -7.073   3.093
    6    HD2  HIS  80           HD2      HIS  80   6.443  -8.262   0.389
    7    HE1  HIS  80           HE1      HIS  80   7.599  -8.266   4.450
    8    HE2  HIS  80           HE2      HIS  80   5.800  -8.996   2.810

  No H/Q in entry =           8
  In of MODEL    2
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL    2
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL    2
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL    2
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL    2
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL    2
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL    2
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL    2
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.105  -6.382 -21.731
    4    HB3  GLU   5           HB3      GLU   5   0.420  -5.149 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.482  -4.495 -21.795
    6    HG3  GLU   5           HG3      GLU   5   2.166  -5.679 -20.530

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL    2
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL    2
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL    2
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.433 -21.000
    4    HB3  MET   9           HB3      MET   9   4.425   1.170 -20.553
    5    HG2  MET   9           HG2      MET   9   5.214  -0.957 -19.641
    6    HG3  MET   9           HG3      MET   9   3.654  -1.707 -19.980
    7    HE1  MET   9           HE1      MET   9   6.660   0.034 -21.099
    8    HE3  MET   9           HE2      MET   9   5.840   0.818 -22.446
    9    HE2  MET   9           HE3      MET   9   7.004  -0.466 -22.760

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.480   1.689 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.665   0.281 -14.898
    5   HG13  ILE  12          HG13      ILE  12   4.209  -0.541 -14.959
    6   HG21  ILE  12          HG21      ILE  12   5.629   1.613 -13.087
    7   HG23  ILE  12          HG22      ILE  12   6.263   2.527 -14.456
    8   HG22  ILE  12          HG23      ILE  12   6.299   0.766 -14.480
    9   HD12  ILE  12          HD11      ILE  12   2.830   0.653 -12.556
   10   HD11  ILE  12          HD12      ILE  12   4.521   0.182 -12.540
   11   HD13  ILE  12          HD13      ILE  12   3.274  -1.022 -12.840

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.814 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.824   3.927 -17.790
    5   HG13  ILE  13          HG13      ILE  13   5.620   4.704 -19.357
    6   HG23  ILE  13          HG21      ILE  13   4.773   8.053 -17.812
    7   HG22  ILE  13          HG22      ILE  13   5.786   7.368 -19.083
    8   HG21  ILE  13          HG23      ILE  13   6.422   7.543 -17.448
    9   HD13  ILE  13          HD11      ILE  13   7.630   5.846 -19.204
   10   HD12  ILE  13          HD12      ILE  13   8.031   4.417 -18.253
   11   HD11  ILE  13          HD13      ILE  13   7.573   5.915 -17.444

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL    2
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL    2
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL    2
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL    2
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL    2
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL    2
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL    2
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL    2
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL    2
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL    2
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL    2
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.059  -8.765
    4    HB3  HIS  52           HB3      HIS  52  -7.553   7.679  -9.495
    5    HD1  HIS  52           HD1      HIS  52  -9.700   6.037  -9.282
    6    HD2  HIS  52           HD2      HIS  52  -6.508   5.214  -6.732
    7    HE1  HIS  52           HE1      HIS  52 -10.607   4.529  -7.468
    8    HE2  HIS  52           HE2      HIS  52  -8.675   4.021  -5.897

  No H/Q in entry =           8
  In of MODEL    2
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL    2
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL    2
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.900   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.930   3.475  -9.444
    5   HG21  THR  56          HG21      THR  56 -13.306   1.673 -10.739
    6   HG23  THR  56          HG22      THR  56 -13.816   3.356 -10.863
    7   HG22  THR  56          HG23      THR  56 -12.941   2.805  -9.437

  No H/Q in entry =           7
  In of MODEL    2
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.667  -1.968 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.933  -4.284  -8.954
    5   HG13  ILE  59          HG13      ILE  59  -9.384  -4.461  -9.762
    6   HG23  ILE  59          HG21      ILE  59 -11.924  -1.113 -10.312
    7   HG22  ILE  59          HG22      ILE  59 -11.499  -1.683  -8.720
    8   HG21  ILE  59          HG23      ILE  59 -12.552  -2.648  -9.741
    9   HD11  ILE  59          HD11      ILE  59  -8.694  -2.322  -8.475
   10   HD13  ILE  59          HD12      ILE  59  -8.782  -3.835  -7.576
   11   HD12  ILE  59          HD13      ILE  59 -10.093  -2.663  -7.458

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL    2
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL    2
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL    2
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL    2
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL    2
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  74           H        LEU  74  -3.311  -7.009 -13.422
    2    HA   LEU  74           HA       LEU  74  -3.949  -4.378 -12.836
    3    HB2  LEU  74           HB2      LEU  74  -5.588  -6.169 -12.860
    4    HB3  LEU  74           HB3      LEU  74  -4.792  -6.969 -11.510
    5    HG   LEU  74           HG       LEU  74  -5.322  -5.016 -10.073
    6   HD13  LEU  74          HD11      LEU  74  -5.496  -3.172 -11.508
    7   HD12  LEU  74          HD12      LEU  74  -7.185  -3.507 -11.130
    8   HD11  LEU  74          HD13      LEU  74  -6.503  -4.038 -12.666
    9   HD22  LEU  74          HD21      LEU  74  -7.511  -5.755  -9.646
   10   HD21  LEU  74          HD22      LEU  74  -6.893  -7.086 -10.609
   11   HD23  LEU  74          HD23      LEU  74  -7.907  -5.860 -11.360

  No H/Q in entry =          11
  In of MODEL    2
    1    H    VAL  75           H        VAL  75  -2.285  -6.747 -10.895
    2    HA   VAL  75           HA       VAL  75  -2.153  -5.201  -8.502
    3    HB   VAL  75           HB       VAL  75  -0.369  -7.463  -9.442
    4   HG11  VAL  75          HG11      VAL  75  -0.571  -5.886  -6.905
    5   HG13  VAL  75          HG12      VAL  75   0.856  -6.555  -7.696
    6   HG12  VAL  75          HG13      VAL  75  -0.225  -7.611  -6.789
    7   HG23  VAL  75          HG21      VAL  75  -2.744  -7.511  -7.542
    8   HG22  VAL  75          HG22      VAL  75  -1.819  -8.901  -8.110
    9   HG21  VAL  75          HG23      VAL  75  -2.825  -7.992  -9.236

  No H/Q in entry =           9
  In of MODEL    2
    1    H    HIS  76           H        HIS  76   0.145  -5.645 -11.318
    2    HA   HIS  76           HA       HIS  76   2.314  -4.183 -10.340
    3    HB2  HIS  76           HB2      HIS  76   2.195  -5.505 -12.512
    4    HB3  HIS  76           HB3      HIS  76   1.400  -4.097 -13.216
    5    HD1  HIS  76           HD1      HIS  76   3.287  -3.244 -14.689
    6    HD2  HIS  76           HD2      HIS  76   4.489  -3.837 -10.742
    7    HE1  HIS  76           HE1      HIS  76   5.612  -2.261 -14.494

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ALA  77           H        ALA  77  -0.567  -3.061 -12.091
    2    HA   ALA  77           HA       ALA  77   0.209  -0.308 -12.082
    3    HB2  ALA  77           HB1      ALA  77  -2.378  -0.054 -12.459
    4    HB3  ALA  77           HB2      ALA  77  -2.331  -1.807 -12.639
    5    HB1  ALA  77           HB3      ALA  77  -1.383  -0.786 -13.719

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLN  78           H        GLN  78  -1.822  -2.317  -9.977
    2    HA   GLN  78           HA       GLN  78  -2.766  -0.215  -8.332
    3    HB2  GLN  78           HB2      GLN  78  -3.614  -2.639  -8.515
    4    HB3  GLN  78           HB3      GLN  78  -2.310  -3.049  -7.402
    5    HG2  GLN  78           HG2      GLN  78  -3.178  -1.414  -5.780
    6    HG3  GLN  78           HG3      GLN  78  -4.488  -1.007  -6.887
    7   HE21  GLN  78          HE21      GLN  78  -3.097  -4.191  -5.899
    8   HE22  GLN  78          HE22      GLN  78  -4.583  -4.843  -5.402

  No H/Q in entry =           8
  In of MODEL    2
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL    2
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.310   0.898 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.976   2.521 -10.290
    5    HD1  HIS  80           HD1      HIS  80   5.430   2.757 -10.625
    6    HD2  HIS  80           HD2      HIS  80   4.358  -1.194  -9.843
    7    HE1  HIS  80           HE1      HIS  80   7.551   1.378 -10.853
    8    HE2  HIS  80           HE2      HIS  80   6.909  -1.035 -10.380

  No H/Q in entry =           8
  In of MODEL    2
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL    2
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL    2
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL    2
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL    2
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL    2
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL    2
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL    2
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL    2
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL    2
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL    2
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL    2
    1    H    PHE   9           H        PHE   9 -21.283   0.637  -3.909
    2    HA   PHE   9           HA       PHE   9 -18.522   1.527  -4.536
    3    HB2  PHE   9           HB2      PHE   9 -20.343   2.445  -2.303
    4    HB3  PHE   9           HB3      PHE   9 -18.636   2.862  -2.437
    5    HD1  PHE   9           HD1      PHE   9 -21.994   3.452  -3.727
    6    HD2  PHE   9           HD2      PHE   9 -17.818   4.232  -4.348
    7    HE1  PHE   9           HE1      PHE   9 -22.571   5.297  -5.279
    8    HE2  PHE   9           HE2      PHE   9 -18.395   6.076  -5.904
    9    HZ   PHE   9           HZ       PHE   9 -20.772   6.609  -6.369

  No H/Q in entry =           9
  In of MODEL    2
    1    H    CYS  10           H        CYS  10 -16.919   0.915  -3.216
    2    HA   CYS  10           HA       CYS  10 -17.181  -0.742  -0.876
    3    HB2  CYS  10           HB2      CYS  10 -16.131  -2.713  -1.654
    4    HB3  CYS  10           HB3      CYS  10 -17.291  -2.322  -2.927

  No H/Q in entry =           4
  In of MODEL    2
    1    H    SER  11           H        SER  11 -14.473  -1.449  -0.358
    2    HA   SER  11           HA       SER  11 -13.451   1.135   0.022
    3    HB2  SER  11           HB2      SER  11 -12.548  -0.479   1.463
    4    HB3  SER  11           HB3      SER  11 -12.160  -1.575   0.154
    5    HG   SER  11           HG       SER  11 -10.975   0.954   0.650

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  12           H        ALA  12 -12.217  -1.352  -2.347
    2    HA   ALA  12           HA       ALA  12 -10.838   0.887  -3.671
    3    HB2  ALA  12           HB1      ALA  12  -9.968  -1.546  -4.775
    4    HB1  ALA  12           HB2      ALA  12 -10.109  -1.841  -3.043
    5    HB3  ALA  12           HB3      ALA  12  -9.094  -0.526  -3.633

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  13           H        GLY  13 -13.005  -1.850  -4.254
    2    HA3  GLY  13           HA2      GLY  13 -14.810  -1.498  -5.867
    3    HA2  GLY  13           HA3      GLY  13 -13.634  -0.684  -6.892

  No H/Q in entry =           3
  In of MODEL    2
    1    H    MET  14           H        MET  14 -12.754  -3.651  -5.200
    2    HA   MET  14           HA       MET  14 -12.597  -4.946  -7.846
    3    HB2  MET  14           HB2      MET  14 -10.489  -4.659  -6.518
    4    HB3  MET  14           HB3      MET  14 -11.160  -5.766  -5.321
    5    HG2  MET  14           HG2      MET  14 -11.369  -7.518  -7.027
    6    HG3  MET  14           HG3      MET  14 -10.760  -6.414  -8.258
    7    HE1  MET  14           HE1      MET  14  -9.062  -7.889  -9.045
    8    HE3  MET  14           HE2      MET  14  -9.283  -9.222  -7.915
    9    HE2  MET  14           HE3      MET  14  -7.677  -8.544  -8.164

  No H/Q in entry =           9
  In of MODEL    2
    1    H    SER  15           H        SER  15 -12.865  -6.263  -4.555
    2    HA   SER  15           HA       SER  15 -14.075  -8.631  -5.188
    3    HB2  SER  15           HB2      SER  15 -15.106  -7.111  -2.824
    4    HB3  SER  15           HB3      SER  15 -14.738  -8.829  -2.975
    5    HG   SER  15           HG       SER  15 -12.602  -8.385  -2.883

  No H/Q in entry =           5
  In of MODEL    2
    1    H    THR  16           H        THR  16 -15.521  -5.465  -5.460
    2    HA   THR  16           HA       THR  16 -18.200  -6.688  -5.636
    3    HB   THR  16           HB       THR  16 -17.458  -3.768  -5.945
    4    HG1  THR  16           HG1      THR  16 -18.295  -3.744  -3.721
    5   HG21  THR  16          HG21      THR  16 -20.017  -5.322  -5.627
    6   HG23  THR  16          HG22      THR  16 -19.623  -4.061  -6.798
    7   HG22  THR  16          HG23      THR  16 -19.922  -3.636  -5.113

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL    2
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL    2
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL    2
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL    2
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL    2
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL    2
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL    2
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL    2
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL    2
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL    2
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL    2
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL    2
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL    2
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   PRO  58           HA       PRO  58 -23.310  -4.451   3.149
    2    HB2  PRO  58           HB2      PRO  58 -21.603  -6.873   3.253
    3    HB3  PRO  58           HB3      PRO  58 -23.364  -6.721   3.386
    4    HG2  PRO  58           HG2      PRO  58 -22.179  -7.716   1.201
    5    HG3  PRO  58           HG3      PRO  58 -23.676  -6.773   1.122
    6    HD2  PRO  58           HD2      PRO  58 -20.883  -5.928   0.414
    7    HD3  PRO  58           HD3      PRO  58 -22.438  -5.473  -0.321

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL    2
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL    2
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL    2
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL    2
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL    2
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL    2
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL    2
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL    2
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL    2
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL    2
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL    2
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL    2
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998
    6    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    7    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    8    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    9    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
   10    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
   11    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
   12    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =          12
  In of MODEL    3
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.303 -14.309  -2.708
    4    HB3  GLU   5           HB3      GLU   5 -14.709 -13.894  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.804 -12.524  -3.702
    6    HG3  GLU   5           HG3      GLU   5 -14.327 -11.476  -2.367

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL    3
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL    3
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL    3
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.707  -8.432   1.542
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.709   1.345
    5    HG2  MET   9           HG2      MET   9 -14.290  -6.785  -0.968
    6    HG3  MET   9           HG3      MET   9 -13.797  -8.468  -0.792
    7    HE3  MET   9           HE1      MET   9 -17.397  -6.763   0.546
    8    HE2  MET   9           HE2      MET   9 -17.844  -6.553  -1.144
    9    HE1  MET   9           HE3      MET   9 -16.330  -5.885  -0.553

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.939  -4.403   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.204  -6.158   0.953
    5   HG13  ILE  12          HG13      ILE  12  -9.684  -5.412  -0.558
    6   HG21  ILE  12          HG21      ILE  12 -10.278  -2.046   0.939
    7   HG23  ILE  12          HG22      ILE  12 -10.300  -2.953  -0.574
    8   HG22  ILE  12          HG23      ILE  12  -8.767  -2.602   0.233
    9   HD12  ILE  12          HD11      ILE  12  -7.147  -4.930   1.016
   10   HD11  ILE  12          HD12      ILE  12  -7.657  -3.921  -0.326
   11   HD13  ILE  12          HD13      ILE  12  -7.315  -5.626  -0.587

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.493  -3.063   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.920  -3.526   3.576
    6   HG22  ILE  13          HG21      ILE  13 -15.149  -1.915   5.744
    7   HG21  ILE  13          HG22      ILE  13 -13.952  -0.664   5.406
    8   HG23  ILE  13          HG23      ILE  13 -13.689  -1.803   6.727
    9   HD12  ILE  13          HD11      ILE  13 -14.956  -1.378   2.019
   10   HD11  ILE  13          HD12      ILE  13 -14.212  -0.622   3.422
   11   HD13  ILE  13          HD13      ILE  13 -15.797  -1.376   3.567

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL    3
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL    3
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL    3
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL    3
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL    3
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL    3
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL    3
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL    3
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL    3
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL    3
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL    3
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.961  -6.662  10.586
    4    HB3  HIS  52           HB3      HIS  52  -1.097  -7.773  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.216 -10.125  11.639
    6    HD2  HIS  52           HD2      HIS  52   1.302  -7.068   9.021
    7    HE1  HIS  52           HE1      HIS  52   2.442 -10.799  10.636
    8    HE2  HIS  52           HE2      HIS  52   3.119  -8.945   9.038

  No H/Q in entry =           8
  In of MODEL    3
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL    3
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL    3
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.219  10.983
    4    HG1  THR  56           HG1      THR  56   0.485 -12.528  11.433
    5   HG23  THR  56          HG21      THR  56   0.900 -15.177  11.670
    6   HG22  THR  56          HG22      THR  56   1.850 -14.275  10.490
    7   HG21  THR  56          HG23      THR  56   0.930 -15.691   9.984

  No H/Q in entry =           7
  In of MODEL    3
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.910
    4   HG12  ILE  59          HG12      ILE  59   2.408 -16.237   3.462
    5   HG13  ILE  59          HG13      ILE  59   1.141 -15.368   2.610
    6   HG21  ILE  59          HG21      ILE  59   1.116 -16.009   6.801
    7   HG23  ILE  59          HG22      ILE  59   2.393 -15.067   6.080
    8   HG22  ILE  59          HG23      ILE  59   2.276 -16.785   5.739
    9   HD13  ILE  59          HD11      ILE  59   2.979 -13.857   2.703
   10   HD12  ILE  59          HD12      ILE  59   3.282 -14.224   4.401
   11   HD11  ILE  59          HD13      ILE  59   1.851 -13.302   3.940

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL    3
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL    3
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL    3
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL    3
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL    3
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  74           H        LEU  74  -4.298 -13.684  -2.342
    2    HA   LEU  74           HA       LEU  74  -3.894 -12.579   0.166
    3    HB2  LEU  74           HB2      LEU  74  -2.997 -14.728  -0.493
    4    HB3  LEU  74           HB3      LEU  74  -1.984 -13.974  -1.719
    5    HG   LEU  74           HG       LEU  74  -0.737 -12.791   0.055
    6   HD13  LEU  74          HD11      LEU  74  -2.250 -12.521   1.834
    7   HD12  LEU  74          HD12      LEU  74  -1.176 -13.784   2.431
    8   HD11  LEU  74          HD13      LEU  74  -2.762 -14.207   1.785
    9   HD21  LEU  74          HD21      LEU  74  -0.370 -15.314  -0.771
   10   HD23  LEU  74          HD22      LEU  74  -0.757 -15.666   0.904
   11   HD22  LEU  74          HD23      LEU  74   0.610 -14.626   0.522

  No H/Q in entry =          11
  In of MODEL    3
    1    H    VAL  75           H        VAL  75  -2.657 -11.594  -2.926
    2    HA   VAL  75           HA       VAL  75  -0.698  -9.768  -1.888
    3    HB   VAL  75           HB       VAL  75  -1.974  -9.875  -4.640
    4   HG12  VAL  75          HG11      VAL  75   0.455  -8.882  -5.092
    5   HG11  VAL  75          HG12      VAL  75   0.280  -8.329  -3.428
    6   HG13  VAL  75          HG13      VAL  75  -0.892  -7.835  -4.648
    7   HG21  VAL  75          HG21      VAL  75   0.465 -11.254  -3.470
    8   HG23  VAL  75          HG22      VAL  75   0.197 -11.094  -5.205
    9   HG22  VAL  75          HG23      VAL  75  -0.943 -12.006  -4.219

  No H/Q in entry =           9
  In of MODEL    3
    1    H    HIS  76           H        HIS  76  -4.293  -9.357  -3.255
    2    HA   HIS  76           HA       HIS  76  -4.619  -6.585  -3.174
    3    HB2  HIS  76           HB2      HIS  76  -6.345  -8.153  -4.063
    4    HB3  HIS  76           HB3      HIS  76  -6.725  -8.639  -2.416
    5    HD1  HIS  76           HD1      HIS  76  -5.987  -5.016  -2.798
    6    HD2  HIS  76           HD2      HIS  76  -9.395  -7.439  -2.953
    7    HE1  HIS  76           HE1      HIS  76  -7.994  -3.456  -2.661

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ALA  77           H        ALA  77  -4.694  -8.953  -0.602
    2    HA   ALA  77           HA       ALA  77  -5.525  -7.048   1.424
    3    HB3  ALA  77           HB1      ALA  77  -6.246  -9.209   1.931
    4    HB2  ALA  77           HB2      ALA  77  -4.816  -9.041   2.947
    5    HB1  ALA  77           HB3      ALA  77  -4.721  -9.947   1.438

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLN  78           H        GLN  78  -2.490  -8.759   0.551
    2    HA   GLN  78           HA       GLN  78  -0.940  -7.682   2.647
    3    HB2  GLN  78           HB2      GLN  78  -0.386  -9.634   1.075
    4    HB3  GLN  78           HB3      GLN  78   0.132  -8.408  -0.080
    5    HG2  GLN  78           HG2      GLN  78   1.722  -7.517   1.569
    6    HG3  GLN  78           HG3      GLN  78   1.202  -8.728   2.737
    7   HE21  GLN  78          HE21      GLN  78   3.734  -9.157   2.451
    8   HE22  GLN  78          HE22      GLN  78   4.136 -10.317   1.280

  No H/Q in entry =           8
  In of MODEL    3
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL    3
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.057  -4.205   1.207
    4    HB3  HIS  80           HB3      HIS  80  -5.396  -2.776   2.188
    5    HD1  HIS  80           HD1      HIS  80  -6.734  -0.979   1.098
    6    HD2  HIS  80           HD2      HIS  80  -4.998  -3.524  -1.711
    7    HE1  HIS  80           HE1      HIS  80  -7.590  -0.232  -1.173
    8    HE2  HIS  80           HE2      HIS  80  -6.539  -1.779  -2.894

  No H/Q in entry =           8
  In of MODEL    3
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL    3
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL    3
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL    3
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL    3
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL    3
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL    3
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732
    6    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    7    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    8    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    9    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
   10    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
   11    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
   12    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =          12
  In of MODEL    3
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.454 -20.449  -4.426
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.876  -3.436
    5    HG2  GLU   5           HG2      GLU   5   9.911 -21.076  -2.031
    6    HG3  GLU   5           HG3      GLU   5  10.769 -19.620  -1.529

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL    3
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL    3
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL    3
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.033 -16.708   0.854
    4    HB3  MET   9           HB3      MET   9  13.734 -16.162   2.504
    5    HG2  MET   9           HG2      MET   9  11.349 -16.596   2.264
    6    HG3  MET   9           HG3      MET   9  11.568 -17.024   0.567
    7    HE3  MET   9           HE1      MET   9  13.967 -18.285   3.771
    8    HE2  MET   9           HE2      MET   9  12.601 -19.230   4.358
    9    HE1  MET   9           HE3      MET   9  12.411 -17.502   4.071

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.953   2.307
    4   HG12  ILE  12          HG12      ILE  12  10.843 -11.546  -0.016
    5   HG13  ILE  12          HG13      ILE  12   9.641 -12.258   1.040
    6   HG23  ILE  12          HG21      ILE  12  10.866 -10.590   4.139
    7   HG22  ILE  12          HG22      ILE  12   9.513 -11.473   3.432
    8   HG21  ILE  12          HG23      ILE  12   9.741  -9.764   3.064
    9   HD12  ILE  12          HD11      ILE  12   9.831  -9.393   0.108
   10   HD11  ILE  12          HD12      ILE  12   8.779  -9.901   1.417
   11   HD13  ILE  12          HD13      ILE  12   8.550 -10.555  -0.199

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.102 -11.636   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.809 -12.617   4.667
    5   HG13  ILE  13          HG13      ILE  13  15.287 -13.528   4.955
    6   HG22  ILE  13          HG21      ILE  13  17.085 -11.962   6.198
    7   HG21  ILE  13          HG22      ILE  13  16.117 -10.566   6.670
    8   HG23  ILE  13          HG23      ILE  13  17.361 -10.399   5.431
    9   HD12  ILE  13          HD11      ILE  13  13.544 -13.090   6.921
   10   HD11  ILE  13          HD12      ILE  13  14.416 -11.562   7.037
   11   HD13  ILE  13          HD13      ILE  13  15.280 -13.087   7.229

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL    3
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL    3
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL    3
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL    3
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL    3
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL    3
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL    3
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL    3
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL    3
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL    3
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL    3
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.340  -1.676  -5.673
    4    HB3  HIS  52           HB3      HIS  52  17.783  -1.774  -6.683
    5    HD1  HIS  52           HD1      HIS  52  17.303  -2.115  -9.329
    6    HD2  HIS  52           HD2      HIS  52  14.065  -0.841  -7.035
    7    HE1  HIS  52           HE1      HIS  52  15.589  -1.205 -10.955
    8    HE2  HIS  52           HE2      HIS  52  13.608  -0.422  -9.572

  No H/Q in entry =           8
  In of MODEL    3
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL    3
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL    3
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.065
    4    HG1  THR  56           HG1      THR  56  17.344  -3.216 -11.494
    5   HG23  THR  56          HG21      THR  56  17.768  -4.151 -13.978
    6   HG22  THR  56          HG22      THR  56  16.186  -3.478 -13.589
    7   HG21  THR  56          HG23      THR  56  16.311  -5.101 -14.262

  No H/Q in entry =           7
  In of MODEL    3
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.836  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.899  -6.998 -14.839
    5   HG13  ILE  59          HG13      ILE  59   9.523  -7.867 -13.359
    6   HG21  ILE  59          HG21      ILE  59  13.407  -6.453 -14.306
    7   HG23  ILE  59          HG22      ILE  59  12.105  -5.313 -14.089
    8   HG22  ILE  59          HG23      ILE  59  12.085  -6.411 -15.459
    9   HD13  ILE  59          HD11      ILE  59   8.643  -5.678 -13.038
   10   HD12  ILE  59          HD12      ILE  59  10.104  -4.924 -13.676
   11   HD11  ILE  59          HD13      ILE  59  10.139  -5.725 -12.105

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL    3
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL    3
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL    3
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL    3
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL    3
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  74           H        LEU  74   7.016 -13.174  -8.611
    2    HA   LEU  74           HA       LEU  74   8.958 -11.247  -8.133
    3    HB2  LEU  74           HB2      LEU  74   8.331 -11.962 -10.359
    4    HB3  LEU  74           HB3      LEU  74   6.698 -11.342 -10.142
    5    HG   LEU  74           HG       LEU  74   7.611  -9.049  -9.960
    6   HD13  LEU  74          HD11      LEU  74   9.793  -9.293  -9.120
    7   HD12  LEU  74          HD12      LEU  74  10.073  -8.878 -10.809
    8   HD11  LEU  74          HD13      LEU  74  10.204 -10.555 -10.279
    9   HD21  LEU  74          HD21      LEU  74   7.081 -10.412 -12.206
   10   HD23  LEU  74          HD22      LEU  74   8.799 -10.176 -12.472
   11   HD22  LEU  74          HD23      LEU  74   7.746  -8.781 -12.264

  No H/Q in entry =          11
  In of MODEL    3
    1    H    VAL  75           H        VAL  75   5.485 -11.045  -7.862
    2    HA   VAL  75           HA       VAL  75   5.346  -8.240  -7.368
    3    HB   VAL  75           HB       VAL  75   3.420 -10.451  -6.589
    4   HG12  VAL  75          HG11      VAL  75   1.832  -8.348  -6.799
    5   HG11  VAL  75          HG12      VAL  75   3.311  -7.456  -6.442
    6   HG13  VAL  75          HG13      VAL  75   2.708  -8.656  -5.299
    7   HG21  VAL  75          HG21      VAL  75   3.672  -8.691  -9.048
    8   HG23  VAL  75          HG22      VAL  75   2.185  -9.548  -8.646
    9   HG22  VAL  75          HG23      VAL  75   3.661 -10.453  -8.975

  No H/Q in entry =           9
  In of MODEL    3
    1    H    HIS  76           H        HIS  76   5.522 -11.158  -5.153
    2    HA   HIS  76           HA       HIS  76   5.227  -9.850  -2.698
    3    HB2  HIS  76           HB2      HIS  76   5.403 -12.373  -3.158
    4    HB3  HIS  76           HB3      HIS  76   7.151 -12.135  -3.098
    5    HD1  HIS  76           HD1      HIS  76   7.906 -12.858  -0.833
    6    HD2  HIS  76           HD2      HIS  76   4.363 -10.669  -0.637
    7    HE1  HIS  76           HE1      HIS  76   7.363 -12.592   1.626

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ALA  77           H        ALA  77   8.154 -10.441  -4.624
    2    HA   ALA  77           HA       ALA  77   9.923  -9.168  -2.779
    3    HB1  ALA  77           HB1      ALA  77  11.037 -10.583  -4.250
    4    HB3  ALA  77           HB2      ALA  77  11.366  -9.005  -4.964
    5    HB2  ALA  77           HB3      ALA  77  10.110 -10.036  -5.648

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLN  78           H        GLN  78   8.162  -8.072  -5.659
    2    HA   GLN  78           HA       GLN  78   9.305  -5.481  -5.771
    3    HB2  GLN  78           HB2      GLN  78   7.924  -6.716  -7.556
    4    HB3  GLN  78           HB3      GLN  78   6.506  -6.175  -6.659
    5    HG2  GLN  78           HG2      GLN  78   7.229  -3.842  -6.898
    6    HG3  GLN  78           HG3      GLN  78   8.666  -4.366  -7.773
    7   HE21  GLN  78          HE21      GLN  78   7.449  -2.794  -9.419
    8   HE22  GLN  78          HE22      GLN  78   6.389  -3.567 -10.497

  No H/Q in entry =           8
  In of MODEL    3
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL    3
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.199  -7.438  -0.523
    4    HB3  HIS  80           HB3      HIS  80  10.024  -6.561   0.767
    5    HD1  HIS  80           HD1      HIS  80   9.338  -7.119   3.093
    6    HD2  HIS  80           HD2      HIS  80   6.444  -8.264   0.319
    7    HE1  HIS  80           HE1      HIS  80   7.530  -8.337   4.399
    8    HE2  HIS  80           HE2      HIS  80   5.760  -9.039   2.716

  No H/Q in entry =           8
  In of MODEL    3
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL    3
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL    3
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL    3
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL    3
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL    3
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL    3
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511
    6    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    7    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    8    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    9    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
   10    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
   11    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
   12    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =          12
  In of MODEL    3
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.079  -6.374 -21.761
    4    HB3  GLU   5           HB3      GLU   5   0.454  -5.128 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.547  -6.098 -22.270
    6    HG3  GLU   5           HG3      GLU   5   2.452  -4.503 -21.529

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL    3
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL    3
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL    3
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.433 -21.000
    4    HB3  MET   9           HB3      MET   9   4.425   1.170 -20.553
    5    HG2  MET   9           HG2      MET   9   5.223  -0.953 -19.653
    6    HG3  MET   9           HG3      MET   9   3.659  -1.705 -19.966
    7    HE3  MET   9           HE1      MET   9   5.745   0.800 -22.600
    8    HE2  MET   9           HE2      MET   9   6.976  -0.452 -22.748
    9    HE1  MET   9           HE3      MET   9   6.543   0.164 -21.155

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.473   1.685 -15.888
    4   HG12  ILE  12          HG12      ILE  12   2.662   0.283 -14.867
    5   HG13  ILE  12          HG13      ILE  12   4.204  -0.540 -14.963
    6   HG23  ILE  12          HG21      ILE  12   6.266   2.526 -14.492
    7   HG22  ILE  12          HG22      ILE  12   6.300   0.763 -14.466
    8   HG21  ILE  12          HG23      ILE  12   5.638   1.652 -13.096
    9   HD12  ILE  12          HD11      ILE  12   2.890   0.661 -12.526
   10   HD11  ILE  12          HD12      ILE  12   4.570   0.156 -12.552
   11   HD13  ILE  12          HD13      ILE  12   3.294  -1.022 -12.826

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.811 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.833   3.930 -17.787
    5   HG13  ILE  13          HG13      ILE  13   5.621   4.703 -19.356
    6   HG22  ILE  13          HG21      ILE  13   5.787   7.370 -19.082
    7   HG21  ILE  13          HG22      ILE  13   6.413   7.549 -17.442
    8   HG23  ILE  13          HG23      ILE  13   4.765   8.052 -17.816
    9   HD12  ILE  13          HD11      ILE  13   8.041   4.433 -18.274
   10   HD11  ILE  13          HD12      ILE  13   7.576   5.917 -17.444
   11   HD13  ILE  13          HD13      ILE  13   7.616   5.868 -19.206

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL    3
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL    3
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL    3
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL    3
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL    3
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL    3
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL    3
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL    3
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL    3
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL    3
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL    3
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.060  -8.765
    4    HB3  HIS  52           HB3      HIS  52  -7.554   7.679  -9.495
    5    HD1  HIS  52           HD1      HIS  52  -9.696   6.023  -9.290
    6    HD2  HIS  52           HD2      HIS  52  -6.510   5.228  -6.723
    7    HE1  HIS  52           HE1      HIS  52 -10.603   4.518  -7.473
    8    HE2  HIS  52           HE2      HIS  52  -8.675   4.027  -5.892

  No H/Q in entry =           8
  In of MODEL    3
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL    3
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL    3
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.898   3.589 -12.098
    4    HG1  THR  56           HG1      THR  56 -11.519   4.601 -10.010
    5   HG23  THR  56          HG21      THR  56 -13.821   3.360 -10.852
    6   HG22  THR  56          HG22      THR  56 -12.944   2.779  -9.437
    7   HG21  THR  56          HG23      THR  56 -13.301   1.677 -10.764

  No H/Q in entry =           7
  In of MODEL    3
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.665  -1.970 -10.405
    4   HG12  ILE  59          HG12      ILE  59 -10.939  -4.292  -8.966
    5   HG13  ILE  59          HG13      ILE  59  -9.378  -4.455  -9.754
    6   HG23  ILE  59          HG21      ILE  59 -11.907  -1.098 -10.304
    7   HG22  ILE  59          HG22      ILE  59 -11.505  -1.696  -8.716
    8   HG21  ILE  59          HG23      ILE  59 -12.557  -2.635  -9.762
    9   HD13  ILE  59          HD11      ILE  59  -8.790  -3.826  -7.570
   10   HD12  ILE  59          HD12      ILE  59 -10.132  -2.690  -7.444
   11   HD11  ILE  59          HD13      ILE  59  -8.738  -2.299  -8.450

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL    3
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL    3
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL    3
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL    3
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL    3
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  74           H        LEU  74  -3.312  -7.004 -13.432
    2    HA   LEU  74           HA       LEU  74  -3.942  -4.372 -12.839
    3    HB2  LEU  74           HB2      LEU  74  -5.594  -6.146 -12.893
    4    HB3  LEU  74           HB3      LEU  74  -4.816  -6.969 -11.547
    5    HG   LEU  74           HG       LEU  74  -5.350  -5.047 -10.083
    6   HD13  LEU  74          HD11      LEU  74  -5.451  -3.174 -11.497
    7   HD12  LEU  74          HD12      LEU  74  -7.149  -3.465 -11.122
    8   HD11  LEU  74          HD13      LEU  74  -6.484  -3.990 -12.668
    9   HD21  LEU  74          HD21      LEU  74  -6.968  -7.079 -10.744
   10   HD23  LEU  74          HD22      LEU  74  -7.944  -5.777 -11.401
   11   HD22  LEU  74          HD23      LEU  74  -7.523  -5.778  -9.693

  No H/Q in entry =          11
  In of MODEL    3
    1    H    VAL  75           H        VAL  75  -2.318  -6.766 -10.893
    2    HA   VAL  75           HA       VAL  75  -2.205  -5.236  -8.490
    3    HB   VAL  75           HB       VAL  75  -0.406  -7.490  -9.420
    4   HG12  VAL  75          HG11      VAL  75  -0.284  -7.688  -6.788
    5   HG11  VAL  75          HG12      VAL  75  -0.699  -5.975  -6.845
    6   HG13  VAL  75          HG13      VAL  75   0.765  -6.555  -7.639
    7   HG21  VAL  75          HG21      VAL  75  -2.998  -7.425  -7.840
    8   HG23  VAL  75          HG22      VAL  75  -1.912  -8.814  -7.826
    9   HG22  VAL  75          HG23      VAL  75  -2.665  -8.300  -9.333

  No H/Q in entry =           9
  In of MODEL    3
    1    H    HIS  76           H        HIS  76   0.130  -5.673 -11.277
    2    HA   HIS  76           HA       HIS  76   2.282  -4.208 -10.256
    3    HB2  HIS  76           HB2      HIS  76   2.219  -5.543 -12.418
    4    HB3  HIS  76           HB3      HIS  76   1.428  -4.148 -13.151
    5    HD1  HIS  76           HD1      HIS  76   3.289  -3.188 -14.561
    6    HD2  HIS  76           HD2      HIS  76   4.512  -3.947 -10.650
    7    HE1  HIS  76           HE1      HIS  76   5.614  -2.212 -14.336

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ALA  77           H        ALA  77  -0.563  -3.100 -12.075
    2    HA   ALA  77           HA       ALA  77   0.207  -0.351 -12.086
    3    HB1  ALA  77           HB1      ALA  77  -1.375  -0.845 -13.718
    4    HB2  ALA  77           HB2      ALA  77  -2.379  -0.100 -12.476
    5    HB3  ALA  77           HB3      ALA  77  -2.335  -1.855 -12.636

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLN  78           H        GLN  78  -1.819  -2.335  -9.957
    2    HA   GLN  78           HA       GLN  78  -2.759  -0.203  -8.340
    3    HB2  GLN  78           HB2      GLN  78  -3.638  -2.615  -8.500
    4    HB3  GLN  78           HB3      GLN  78  -2.334  -3.036  -7.390
    5    HG2  GLN  78           HG2      GLN  78  -3.172  -1.398  -5.765
    6    HG3  GLN  78           HG3      GLN  78  -4.469  -0.952  -6.871
    7   HE21  GLN  78          HE21      GLN  78  -5.684  -1.754  -4.737
    8   HE22  GLN  78          HE22      GLN  78  -6.120  -3.394  -4.736

  No H/Q in entry =           8
  In of MODEL    3
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL    3
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.295   0.919 -10.478
    4    HB3  HIS  80           HB3      HIS  80   3.001   2.524 -10.285
    5    HD1  HIS  80           HD1      HIS  80   5.456   2.697 -10.640
    6    HD2  HIS  80           HD2      HIS  80   4.294  -1.225  -9.838
    7    HE1  HIS  80           HE1      HIS  80   7.542   1.266 -10.872
    8    HE2  HIS  80           HE2      HIS  80   6.845  -1.129 -10.387

  No H/Q in entry =           8
  In of MODEL    3
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL    3
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL    3
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL    3
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL    3
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL    3
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL    3
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796
    6    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    7    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    8    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    9    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
   10    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
   11    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
   12    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
   13    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
   14    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   15    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   16    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   17    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   18    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   19    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   20    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          20
  In of MODEL    3
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL    3
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL    3
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL    3
    1    H    PHE   9           H        PHE   9 -21.282   0.633  -3.910
    2    HA   PHE   9           HA       PHE   9 -18.522   1.522  -4.542
    3    HB2  PHE   9           HB2      PHE   9 -20.339   2.439  -2.306
    4    HB3  PHE   9           HB3      PHE   9 -18.630   2.851  -2.437
    5    HD1  PHE   9           HD1      PHE   9 -21.984   3.516  -3.656
    6    HD2  PHE   9           HD2      PHE   9 -17.808   4.161  -4.417
    7    HE1  PHE   9           HE1      PHE   9 -22.553   5.367  -5.204
    8    HE2  PHE   9           HE2      PHE   9 -18.377   6.011  -5.968
    9    HZ   PHE   9           HZ       PHE   9 -20.750   6.614  -6.361

  No H/Q in entry =           9
  In of MODEL    3
    1    H    CYS  10           H        CYS  10 -16.916   0.896  -3.238
    2    HA   CYS  10           HA       CYS  10 -17.188  -0.776  -0.906
    3    HB2  CYS  10           HB2      CYS  10 -16.125  -2.733  -1.693
    4    HB3  CYS  10           HB3      CYS  10 -17.261  -2.331  -2.984

  No H/Q in entry =           4
  In of MODEL    3
    1    H    SER  11           H        SER  11 -14.468  -1.468  -0.379
    2    HA   SER  11           HA       SER  11 -13.473   1.132   0.017
    3    HB2  SER  11           HB2      SER  11 -12.570  -0.468   1.471
    4    HB3  SER  11           HB3      SER  11 -12.171  -1.571   0.171
    5    HG   SER  11           HG       SER  11 -10.578  -0.115  -0.507

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  12           H        ALA  12 -12.198  -1.357  -2.337
    2    HA   ALA  12           HA       ALA  12 -10.821   0.892  -3.644
    3    HB3  ALA  12           HB1      ALA  12  -9.083  -0.523  -3.624
    4    HB2  ALA  12           HB2      ALA  12  -9.957  -1.536  -4.772
    5    HB1  ALA  12           HB3      ALA  12 -10.098  -1.842  -3.042

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  13           H        GLY  13 -12.932  -1.882  -4.280
    2    HA3  GLY  13           HA2      GLY  13 -14.758  -1.488  -5.883
    3    HA2  GLY  13           HA3      GLY  13 -13.569  -0.692  -6.907

  No H/Q in entry =           3
  In of MODEL    3
    1    H    MET  14           H        MET  14 -12.723  -3.669  -5.203
    2    HA   MET  14           HA       MET  14 -12.581  -4.965  -7.849
    3    HB2  MET  14           HB2      MET  14 -10.472  -4.696  -6.510
    4    HB3  MET  14           HB3      MET  14 -11.154  -5.813  -5.327
    5    HG2  MET  14           HG2      MET  14 -11.371  -7.543  -7.055
    6    HG3  MET  14           HG3      MET  14 -10.749  -6.429  -8.271
    7    HE1  MET  14           HE1      MET  14  -9.564  -9.201  -7.945
    8    HE3  MET  14           HE2      MET  14  -7.826  -8.921  -7.922
    9    HE2  MET  14           HE3      MET  14  -8.844  -8.004  -9.028

  No H/Q in entry =           9
  In of MODEL    3
    1    H    SER  15           H        SER  15 -12.853  -6.284  -4.564
    2    HA   SER  15           HA       SER  15 -14.081  -8.641  -5.183
    3    HB2  SER  15           HB2      SER  15 -15.118  -7.119  -2.826
    4    HB3  SER  15           HB3      SER  15 -14.726  -8.833  -2.970
    5    HG   SER  15           HG       SER  15 -12.576  -8.331  -2.949

  No H/Q in entry =           5
  In of MODEL    3
    1    H    THR  16           H        THR  16 -15.520  -5.468  -5.461
    2    HA   THR  16           HA       THR  16 -18.202  -6.685  -5.636
    3    HB   THR  16           HB       THR  16 -17.454  -3.767  -5.944
    4    HG1  THR  16           HG1      THR  16 -16.877  -4.309  -3.905
    5   HG22  THR  16          HG21      THR  16 -19.917  -3.630  -5.111
    6   HG21  THR  16          HG22      THR  16 -20.015  -5.315  -5.625
    7   HG23  THR  16          HG23      THR  16 -19.620  -4.057  -6.797

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL    3
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL    3
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL    3
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL    3
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL    3
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL    3
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL    3
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL    3
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL    3
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL    3
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL    3
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL    3
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL    3
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.794  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.016  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.010

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL    3
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL    3
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL    3
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL    3
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL    3
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL    3
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL    3
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL    3
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL    3
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL    3
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL    3
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL    3
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL    4
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.306 -14.314  -2.704
    4    HB3  GLU   5           HB3      GLU   5 -14.711 -13.887  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.796 -12.525  -3.708
    6    HG3  GLU   5           HG3      GLU   5 -14.316 -11.474  -2.376

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL    4
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL    4
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL    4
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.711  -8.425   1.552
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.704   1.333
    5    HG2  MET   9           HG2      MET   9 -14.277  -6.811  -0.977
    6    HG3  MET   9           HG3      MET   9 -13.800  -8.497  -0.778
    7    HE1  MET   9           HE1      MET   9 -16.314  -5.881  -0.635
    8    HE3  MET   9           HE2      MET   9 -17.347  -6.712   0.522
    9    HE2  MET   9           HE3      MET   9 -17.855  -6.569  -1.153

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.383   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.251  -6.174   0.966
    5   HG13  ILE  12          HG13      ILE  12  -9.696  -5.421  -0.552
    6   HG22  ILE  12          HG21      ILE  12  -8.738  -2.610   0.218
    7   HG21  ILE  12          HG22      ILE  12 -10.262  -2.043   0.904
    8   HG23  ILE  12          HG23      ILE  12 -10.253  -2.993  -0.587
    9   HD13  ILE  12          HD11      ILE  12  -7.308  -5.671  -0.559
   10   HD12  ILE  12          HD12      ILE  12  -7.178  -5.018   1.064
   11   HD11  ILE  12          HD13      ILE  12  -7.642  -3.972  -0.270

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.604   5.238
    4   HG12  ILE  13          HG12      ILE  13 -13.492  -3.082   2.668
    5   HG13  ILE  13          HG13      ILE  13 -14.925  -3.524   3.580
    6   HG23  ILE  13          HG21      ILE  13 -13.736  -1.840   6.733
    7   HG22  ILE  13          HG22      ILE  13 -15.159  -1.873   5.693
    8   HG21  ILE  13          HG23      ILE  13 -13.906  -0.660   5.433
    9   HD11  ILE  13          HD11      ILE  13 -14.206  -0.624   3.416
   10   HD13  ILE  13          HD12      ILE  13 -15.792  -1.376   3.530
   11   HD12  ILE  13          HD13      ILE  13 -14.921  -1.390   1.999

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL    4
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL    4
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL    4
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL    4
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL    4
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL    4
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL    4
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL    4
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL    4
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL    4
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL    4
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.947  -6.668  10.567
    4    HB3  HIS  52           HB3      HIS  52  -1.109  -7.752  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.214 -10.089  11.746
    6    HD2  HIS  52           HD2      HIS  52   1.296  -7.160   8.985
    7    HE1  HIS  52           HE1      HIS  52   2.435 -10.814  10.767
    8    HE2  HIS  52           HE2      HIS  52   3.109  -9.037   9.082

  No H/Q in entry =           8
  In of MODEL    4
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL    4
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL    4
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.218  10.983
    4    HG1  THR  56           HG1      THR  56   0.883 -12.399  10.097
    5   HG23  THR  56          HG21      THR  56   0.894 -15.184  11.668
    6   HG22  THR  56          HG22      THR  56   1.849 -14.275  10.498
    7   HG21  THR  56          HG23      THR  56   0.933 -15.688   9.979

  No H/Q in entry =           7
  In of MODEL    4
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.300 -14.624   4.863
    4   HG12  ILE  59          HG12      ILE  59   2.426 -16.304   3.523
    5   HG13  ILE  59          HG13      ILE  59   1.213 -15.412   2.619
    6   HG21  ILE  59          HG21      ILE  59   1.131 -16.487   6.635
    7   HG23  ILE  59          HG22      ILE  59   1.884 -14.924   6.466
    8   HG22  ILE  59          HG23      ILE  59   2.592 -16.325   5.678
    9   HD13  ILE  59          HD11      ILE  59   3.035 -13.917   2.729
   10   HD12  ILE  59          HD12      ILE  59   3.374 -14.326   4.410
   11   HD11  ILE  59          HD13      ILE  59   1.954 -13.362   4.007

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL    4
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL    4
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL    4
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL    4
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL    4
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  74           H        LEU  74  -4.294 -13.684  -2.339
    2    HA   LEU  74           HA       LEU  74  -3.896 -12.576   0.168
    3    HB2  LEU  74           HB2      LEU  74  -2.991 -14.722  -0.487
    4    HB3  LEU  74           HB3      LEU  74  -1.980 -13.967  -1.714
    5    HG   LEU  74           HG       LEU  74  -0.736 -12.778   0.057
    6   HD11  LEU  74          HD11      LEU  74  -2.761 -14.186   1.783
    7   HD13  LEU  74          HD12      LEU  74  -2.245 -12.502   1.837
    8   HD12  LEU  74          HD13      LEU  74  -1.178 -13.771   2.438
    9   HD23  LEU  74          HD21      LEU  74  -0.769 -15.675   0.886
   10   HD22  LEU  74          HD22      LEU  74   0.601 -14.627   0.568
   11   HD21  LEU  74          HD23      LEU  74  -0.339 -15.267  -0.773

  No H/Q in entry =          11
  In of MODEL    4
    1    H    VAL  75           H        VAL  75  -2.633 -11.606  -2.920
    2    HA   VAL  75           HA       VAL  75  -0.687  -9.771  -1.888
    3    HB   VAL  75           HB       VAL  75  -1.976  -9.904  -4.632
    4   HG11  VAL  75          HG11      VAL  75   0.210  -8.265  -3.435
    5   HG13  VAL  75          HG12      VAL  75  -0.953  -7.841  -4.689
    6   HG12  VAL  75          HG13      VAL  75   0.440  -8.846  -5.083
    7   HG21  VAL  75          HG21      VAL  75  -0.708 -11.976  -3.758
    8   HG23  VAL  75          HG22      VAL  75   0.741 -10.973  -3.822
    9   HG22  VAL  75          HG23      VAL  75  -0.166 -11.304  -5.296

  No H/Q in entry =           9
  In of MODEL    4
    1    H    HIS  76           H        HIS  76  -4.288  -9.360  -3.238
    2    HA   HIS  76           HA       HIS  76  -4.614  -6.588  -3.149
    3    HB2  HIS  76           HB2      HIS  76  -6.341  -8.155  -4.039
    4    HB3  HIS  76           HB3      HIS  76  -6.719  -8.643  -2.393
    5    HD1  HIS  76           HD1      HIS  76  -5.979  -5.023  -2.739
    6    HD2  HIS  76           HD2      HIS  76  -9.390  -7.438  -2.956
    7    HE1  HIS  76           HE1      HIS  76  -7.986  -3.461  -2.606

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ALA  77           H        ALA  77  -4.691  -8.961  -0.578
    2    HA   ALA  77           HA       ALA  77  -5.507  -7.050   1.449
    3    HB2  ALA  77           HB1      ALA  77  -4.783  -9.050   2.968
    4    HB1  ALA  77           HB2      ALA  77  -4.723  -9.949   1.452
    5    HB3  ALA  77           HB3      ALA  77  -6.234  -9.206   1.976

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLN  78           H        GLN  78  -2.489  -8.760   0.547
    2    HA   GLN  78           HA       GLN  78  -0.909  -7.704   2.631
    3    HB2  GLN  78           HB2      GLN  78  -0.376  -9.642   1.038
    4    HB3  GLN  78           HB3      GLN  78   0.121  -8.407  -0.118
    5    HG2  GLN  78           HG2      GLN  78   1.708  -7.508   1.565
    6    HG3  GLN  78           HG3      GLN  78   1.252  -8.807   2.665
    7   HE21  GLN  78          HE21      GLN  78   1.007 -10.337  -0.197
    8   HE22  GLN  78          HE22      GLN  78   2.597 -10.898  -0.389

  No H/Q in entry =           8
  In of MODEL    4
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL    4
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.178
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.801   2.200
    5    HD1  HIS  80           HD1      HIS  80  -6.702  -0.948   1.167
    6    HD2  HIS  80           HD2      HIS  80  -5.051  -3.466  -1.717
    7    HE1  HIS  80           HE1      HIS  80  -7.582  -0.145  -1.075
    8    HE2  HIS  80           HE2      HIS  80  -6.582  -1.675  -2.843

  No H/Q in entry =           8
  In of MODEL    4
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL    4
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL    4
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL    4
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL    4
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL    4
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL    4
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL    4
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.460 -20.452  -4.429
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.875  -3.429
    5    HG2  GLU   5           HG2      GLU   5   9.903 -21.073  -2.035
    6    HG3  GLU   5           HG3      GLU   5  10.754 -19.614  -1.532

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL    4
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL    4
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL    4
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.037 -16.706   0.857
    4    HB3  MET   9           HB3      MET   9  13.729 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.345 -16.599   2.252
    6    HG3  MET   9           HG3      MET   9  11.576 -17.029   0.557
    7    HE1  MET   9           HE1      MET   9  12.333 -17.534   4.088
    8    HE3  MET   9           HE2      MET   9  13.926 -18.225   3.789
    9    HE2  MET   9           HE3      MET   9  12.614 -19.260   4.347

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.312
    4   HG12  ILE  12          HG12      ILE  12  10.853 -11.574  -0.011
    5   HG13  ILE  12          HG13      ILE  12   9.631 -12.252   1.046
    6   HG21  ILE  12          HG21      ILE  12   9.722  -9.771   3.051
    7   HG23  ILE  12          HG22      ILE  12  10.852 -10.578   4.138
    8   HG22  ILE  12          HG23      ILE  12   9.516 -11.480   3.425
    9   HD13  ILE  12          HD11      ILE  12   8.553 -10.535  -0.208
   10   HD12  ILE  12          HD12      ILE  12   9.888  -9.423   0.035
   11   HD11  ILE  12          HD13      ILE  12   8.844  -9.851   1.384

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.106 -11.632   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.818 -12.628   4.644
    5   HG13  ILE  13          HG13      ILE  13  15.295 -13.528   4.964
    6   HG23  ILE  13          HG21      ILE  13  17.393 -10.452   5.425
    7   HG22  ILE  13          HG22      ILE  13  17.032 -11.969   6.248
    8   HG21  ILE  13          HG23      ILE  13  16.120 -10.513   6.644
    9   HD11  ILE  13          HD11      ILE  13  14.416 -11.556   7.030
   10   HD13  ILE  13          HD12      ILE  13  15.221 -13.111   7.231
   11   HD12  ILE  13          HD13      ILE  13  13.494 -13.051   6.885

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL    4
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL    4
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL    4
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL    4
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL    4
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL    4
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL    4
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL    4
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL    4
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL    4
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL    4
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.318  -1.676  -5.683
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.659
    5    HD1  HIS  52           HD1      HIS  52  17.394  -2.057  -9.309
    6    HD2  HIS  52           HD2      HIS  52  14.049  -0.904  -7.106
    7    HE1  HIS  52           HE1      HIS  52  15.711  -1.166 -10.978
    8    HE2  HIS  52           HE2      HIS  52  13.666  -0.457  -9.650

  No H/Q in entry =           8
  In of MODEL    4
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL    4
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL    4
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.064
    4    HG1  THR  56           HG1      THR  56  15.963  -3.413 -11.454
    5   HG23  THR  56          HG21      THR  56  17.769  -4.162 -13.982
    6   HG22  THR  56          HG22      THR  56  16.195  -3.473 -13.588
    7   HG21  THR  56          HG23      THR  56  16.302  -5.098 -14.260

  No H/Q in entry =           7
  In of MODEL    4
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.792  -7.176 -12.515
    4   HG12  ILE  59          HG12      ILE  59   9.955  -6.993 -14.910
    5   HG13  ILE  59          HG13      ILE  59   9.508  -7.832 -13.432
    6   HG21  ILE  59          HG21      ILE  59  13.321  -6.748 -14.698
    7   HG23  ILE  59          HG22      ILE  59  12.629  -5.459 -13.748
    8   HG22  ILE  59          HG23      ILE  59  11.840  -5.973 -15.230
    9   HD13  ILE  59          HD11      ILE  59   8.652  -5.655 -13.118
   10   HD12  ILE  59          HD12      ILE  59  10.090  -4.903 -13.808
   11   HD11  ILE  59          HD13      ILE  59  10.165  -5.651 -12.213

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL    4
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL    4
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL    4
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL    4
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL    4
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  74           H        LEU  74   7.022 -13.173  -8.613
    2    HA   LEU  74           HA       LEU  74   8.964 -11.250  -8.134
    3    HB2  LEU  74           HB2      LEU  74   8.325 -11.953 -10.361
    4    HB3  LEU  74           HB3      LEU  74   6.695 -11.330 -10.134
    5    HG   LEU  74           HG       LEU  74   7.608  -9.040  -9.951
    6   HD11  LEU  74          HD11      LEU  74  10.197 -10.546 -10.263
    7   HD13  LEU  74          HD12      LEU  74   9.789  -9.283  -9.104
    8   HD12  LEU  74          HD13      LEU  74  10.077  -8.870 -10.793
    9   HD23  LEU  74          HD21      LEU  74   8.792 -10.196 -12.470
   10   HD22  LEU  74          HD22      LEU  74   7.791  -8.769 -12.266
   11   HD21  LEU  74          HD23      LEU  74   7.062 -10.368 -12.182

  No H/Q in entry =          11
  In of MODEL    4
    1    H    VAL  75           H        VAL  75   5.492 -11.040  -7.847
    2    HA   VAL  75           HA       VAL  75   5.361  -8.238  -7.334
    3    HB   VAL  75           HB       VAL  75   3.439 -10.458  -6.569
    4   HG11  VAL  75          HG11      VAL  75   3.353  -7.476  -6.330
    5   HG13  VAL  75          HG12      VAL  75   2.704  -8.704  -5.245
    6   HG12  VAL  75          HG13      VAL  75   1.864  -8.323  -6.747
    7   HG21  VAL  75          HG21      VAL  75   3.994 -10.081  -9.056
    8   HG23  VAL  75          HG22      VAL  75   3.216  -8.509  -8.880
    9   HG22  VAL  75          HG23      VAL  75   2.291  -9.983  -8.608

  No H/Q in entry =           9
  In of MODEL    4
    1    H    HIS  76           H        HIS  76   5.561 -11.171  -5.143
    2    HA   HIS  76           HA       HIS  76   5.280  -9.891  -2.674
    3    HB2  HIS  76           HB2      HIS  76   5.421 -12.382  -3.058
    4    HB3  HIS  76           HB3      HIS  76   7.169 -12.190  -3.215
    5    HD1  HIS  76           HD1      HIS  76   5.247 -10.077  -0.790
    6    HD2  HIS  76           HD2      HIS  76   7.672 -13.468  -0.704
    7    HE1  HIS  76           HE1      HIS  76   5.794 -10.505   1.645

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ALA  77           H        ALA  77   8.201 -10.430  -4.634
    2    HA   ALA  77           HA       ALA  77   9.961  -9.136  -2.790
    3    HB3  ALA  77           HB1      ALA  77  11.394  -8.956  -4.984
    4    HB2  ALA  77           HB2      ALA  77  10.147 -10.007  -5.654
    5    HB1  ALA  77           HB3      ALA  77  11.093 -10.539  -4.265

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLN  78           H        GLN  78   8.173  -8.072  -5.662
    2    HA   GLN  78           HA       GLN  78   9.281  -5.470  -5.803
    3    HB2  GLN  78           HB2      GLN  78   7.887  -6.731  -7.559
    4    HB3  GLN  78           HB3      GLN  78   6.476  -6.200  -6.645
    5    HG2  GLN  78           HG2      GLN  78   7.230  -3.852  -6.885
    6    HG3  GLN  78           HG3      GLN  78   8.591  -4.403  -7.860
    7   HE21  GLN  78          HE21      GLN  78   6.316  -6.557  -8.734
    8   HE22  GLN  78          HE22      GLN  78   5.580  -5.730 -10.021

  No H/Q in entry =           8
  In of MODEL    4
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL    4
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.171  -7.450  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.037  -6.564   0.739
    5    HD1  HIS  80           HD1      HIS  80   9.387  -7.049   3.095
    6    HD2  HIS  80           HD2      HIS  80   6.451  -8.275   0.401
    7    HE1  HIS  80           HE1      HIS  80   7.609  -8.241   4.462
    8    HE2  HIS  80           HE2      HIS  80   5.812  -8.993   2.829

  No H/Q in entry =           8
  In of MODEL    4
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL    4
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL    4
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL    4
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL    4
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL    4
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL    4
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL    4
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.074  -6.373 -21.766
    4    HB3  GLU   5           HB3      GLU   5   0.460  -5.125 -22.951
    5    HG2  GLU   5           HG2      GLU   5   2.545  -6.106 -22.262
    6    HG3  GLU   5           HG3      GLU   5   2.454  -4.512 -21.518

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL    4
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL    4
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL    4
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.435 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.222  -0.954 -19.654
    6    HG3  MET   9           HG3      MET   9   3.657  -1.705 -19.965
    7    HE1  MET   9           HE1      MET   9   6.600   0.087 -21.145
    8    HE3  MET   9           HE2      MET   9   5.783   0.799 -22.535
    9    HE2  MET   9           HE3      MET   9   6.971  -0.479 -22.779

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.478   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.667   0.278 -14.897
    5   HG13  ILE  12          HG13      ILE  12   4.213  -0.542 -14.953
    6   HG21  ILE  12          HG21      ILE  12   5.631   1.630 -13.089
    7   HG23  ILE  12          HG22      ILE  12   6.268   2.522 -14.471
    8   HG22  ILE  12          HG23      ILE  12   6.295   0.760 -14.471
    9   HD13  ILE  12          HD11      ILE  12   3.280  -1.012 -12.812
   10   HD12  ILE  12          HD12      ILE  12   2.805   0.660 -12.572
   11   HD11  ILE  12          HD13      ILE  12   4.506   0.216 -12.539

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.816 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.811   3.922 -17.798
    5   HG13  ILE  13          HG13      ILE  13   5.626   4.712 -19.361
    6   HG23  ILE  13          HG21      ILE  13   4.753   8.045 -17.880
    7   HG22  ILE  13          HG22      ILE  13   5.856   7.347 -19.066
    8   HG21  ILE  13          HG23      ILE  13   6.381   7.569 -17.397
    9   HD11  ILE  13          HD11      ILE  13   7.570   5.917 -17.439
   10   HD13  ILE  13          HD12      ILE  13   7.644   5.815 -19.197
   11   HD12  ILE  13          HD13      ILE  13   8.025   4.401 -18.215

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL    4
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL    4
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL    4
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL    4
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL    4
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL    4
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL    4
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL    4
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL    4
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL    4
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL    4
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.039  -8.752
    4    HB3  HIS  52           HB3      HIS  52  -7.533   7.691  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.726   6.140  -9.283
    6    HD2  HIS  52           HD2      HIS  52  -6.555   5.144  -6.769
    7    HE1  HIS  52           HE1      HIS  52 -10.681   4.629  -7.496
    8    HE2  HIS  52           HE2      HIS  52  -8.763   4.016  -5.947

  No H/Q in entry =           8
  In of MODEL    4
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL    4
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL    4
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.899   3.589 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.906   3.458  -9.451
    5   HG23  THR  56          HG21      THR  56 -13.821   3.358 -10.851
    6   HG22  THR  56          HG22      THR  56 -12.942   2.783  -9.435
    7   HG21  THR  56          HG23      THR  56 -13.299   1.676 -10.759

  No H/Q in entry =           7
  In of MODEL    4
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.634  -2.005 -10.395
    4   HG12  ILE  59          HG12      ILE  59 -11.027  -4.282  -8.988
    5   HG13  ILE  59          HG13      ILE  59  -9.438  -4.476  -9.709
    6   HG21  ILE  59          HG21      ILE  59 -12.580  -2.385 -10.109
    7   HG23  ILE  59          HG22      ILE  59 -11.654  -0.907 -10.136
    8   HG22  ILE  59          HG23      ILE  59 -11.666  -1.905  -8.691
    9   HD13  ILE  59          HD11      ILE  59  -8.873  -3.841  -7.542
   10   HD12  ILE  59          HD12      ILE  59 -10.256  -2.759  -7.397
   11   HD11  ILE  59          HD13      ILE  59  -8.867  -2.286  -8.374

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL    4
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL    4
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL    4
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL    4
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL    4
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  74           H        LEU  74  -3.315  -7.008 -13.424
    2    HA   LEU  74           HA       LEU  74  -3.943  -4.373 -12.845
    3    HB2  LEU  74           HB2      LEU  74  -5.596  -6.145 -12.881
    4    HB3  LEU  74           HB3      LEU  74  -4.811  -6.963 -11.536
    5    HG   LEU  74           HG       LEU  74  -5.339  -5.040 -10.074
    6   HD11  LEU  74          HD11      LEU  74  -6.467  -3.983 -12.657
    7   HD13  LEU  74          HD12      LEU  74  -5.438  -3.163 -11.485
    8   HD12  LEU  74          HD13      LEU  74  -7.138  -3.453 -11.116
    9   HD23  LEU  74          HD21      LEU  74  -7.933  -5.794 -11.411
   10   HD22  LEU  74          HD22      LEU  74  -7.542  -5.736  -9.701
   11   HD21  LEU  74          HD23      LEU  74  -6.943  -7.062 -10.691

  No H/Q in entry =          11
  In of MODEL    4
    1    H    VAL  75           H        VAL  75  -2.308  -6.754 -10.893
    2    HA   VAL  75           HA       VAL  75  -2.180  -5.216  -8.497
    3    HB   VAL  75           HB       VAL  75  -0.395  -7.474  -9.443
    4   HG11  VAL  75          HG11      VAL  75  -0.597  -5.910  -6.897
    5   HG13  VAL  75          HG12      VAL  75   0.832  -6.561  -7.698
    6   HG12  VAL  75          HG13      VAL  75  -0.238  -7.633  -6.796
    7   HG21  VAL  75          HG21      VAL  75  -2.930  -7.893  -9.174
    8   HG23  VAL  75          HG22      VAL  75  -2.678  -7.606  -7.452
    9   HG22  VAL  75          HG23      VAL  75  -1.853  -8.941  -8.253

  No H/Q in entry =           9
  In of MODEL    4
    1    H    HIS  76           H        HIS  76   0.124  -5.642 -11.309
    2    HA   HIS  76           HA       HIS  76   2.287  -4.178 -10.318
    3    HB2  HIS  76           HB2      HIS  76   2.150  -5.499 -12.504
    4    HB3  HIS  76           HB3      HIS  76   1.403  -4.060 -13.199
    5    HD1  HIS  76           HD1      HIS  76   3.270  -3.095 -14.586
    6    HD2  HIS  76           HD2      HIS  76   4.526  -4.064 -10.732
    7    HE1  HIS  76           HE1      HIS  76   5.634  -2.216 -14.362

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ALA  77           H        ALA  77  -0.585  -3.061 -12.089
    2    HA   ALA  77           HA       ALA  77   0.177  -0.308 -12.076
    3    HB2  ALA  77           HB1      ALA  77  -2.410  -0.061 -12.449
    4    HB3  ALA  77           HB2      ALA  77  -2.360  -1.815 -12.624
    5    HB1  ALA  77           HB3      ALA  77  -1.416  -0.795 -13.709

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLN  78           H        GLN  78  -1.830  -2.325  -9.964
    2    HA   GLN  78           HA       GLN  78  -2.780  -0.230  -8.310
    3    HB2  GLN  78           HB2      GLN  78  -3.621  -2.654  -8.491
    4    HB3  GLN  78           HB3      GLN  78  -2.302  -3.066  -7.396
    5    HG2  GLN  78           HG2      GLN  78  -3.159  -1.397  -5.774
    6    HG3  GLN  78           HG3      GLN  78  -4.514  -1.070  -6.852
    7   HE21  GLN  78          HE21      GLN  78  -4.077  -4.240  -7.409
    8   HE22  GLN  78          HE22      GLN  78  -5.049  -4.912  -6.190

  No H/Q in entry =           8
  In of MODEL    4
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL    4
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.313   0.894 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.970   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.428   2.772 -10.606
    6    HD2  HIS  80           HD2      HIS  80   4.369  -1.189  -9.860
    7    HE1  HIS  80           HE1      HIS  80   7.555   1.403 -10.837
    8    HE2  HIS  80           HE2      HIS  80   6.920  -1.016 -10.386

  No H/Q in entry =           8
  In of MODEL    4
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL    4
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL    4
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL    4
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL    4
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL    4
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL    4
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL    4
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL    4
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL    4
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL    4
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL    4
    1    H    PHE   9           H        PHE   9 -21.279   0.633  -3.910
    2    HA   PHE   9           HA       PHE   9 -18.521   1.522  -4.552
    3    HB2  PHE   9           HB2      PHE   9 -20.327   2.431  -2.304
    4    HB3  PHE   9           HB3      PHE   9 -18.618   2.843  -2.441
    5    HD1  PHE   9           HD1      PHE   9 -21.978   3.498  -3.662
    6    HD2  PHE   9           HD2      PHE   9 -17.804   4.176  -4.401
    7    HE1  PHE   9           HE1      PHE   9 -22.554   5.354  -5.201
    8    HE2  PHE   9           HE2      PHE   9 -18.379   6.033  -5.943
    9    HZ   PHE   9           HZ       PHE   9 -20.755   6.621  -6.343

  No H/Q in entry =           9
  In of MODEL    4
    1    H    CYS  10           H        CYS  10 -16.913   0.892  -3.262
    2    HA   CYS  10           HA       CYS  10 -17.174  -0.814  -0.946
    3    HB2  CYS  10           HB2      CYS  10 -16.079  -2.739  -1.761
    4    HB3  CYS  10           HB3      CYS  10 -17.205  -2.328  -3.058

  No H/Q in entry =           4
  In of MODEL    4
    1    H    SER  11           H        SER  11 -14.406  -1.490  -0.471
    2    HA   SER  11           HA       SER  11 -13.481   1.149  -0.034
    3    HB2  SER  11           HB2      SER  11 -11.197  -0.179   0.256
    4    HB3  SER  11           HB3      SER  11 -12.467  -0.287   1.456
    5    HG   SER  11           HG       SER  11 -12.258  -2.352   1.039

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  12           H        ALA  12 -12.164  -1.343  -2.365
    2    HA   ALA  12           HA       ALA  12 -10.773   0.905  -3.657
    3    HB2  ALA  12           HB1      ALA  12  -9.903  -1.520  -4.780
    4    HB1  ALA  12           HB2      ALA  12 -10.060  -1.831  -3.052
    5    HB3  ALA  12           HB3      ALA  12  -9.035  -0.515  -3.620

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  13           H        GLY  13 -12.858  -1.883  -4.325
    2    HA3  GLY  13           HA2      GLY  13 -14.679  -1.489  -5.947
    3    HA2  GLY  13           HA3      GLY  13 -13.474  -0.711  -6.966

  No H/Q in entry =           3
  In of MODEL    4
    1    H    MET  14           H        MET  14 -12.725  -3.699  -5.201
    2    HA   MET  14           HA       MET  14 -12.544  -5.015  -7.836
    3    HB2  MET  14           HB2      MET  14 -10.465  -4.740  -6.406
    4    HB3  MET  14           HB3      MET  14 -11.179  -5.918  -5.304
    5    HG2  MET  14           HG2      MET  14 -11.346  -7.548  -7.149
    6    HG3  MET  14           HG3      MET  14 -10.639  -6.373  -8.255
    7    HE3  MET  14           HE1      MET  14  -9.348  -9.263  -7.949
    8    HE2  MET  14           HE2      MET  14  -7.673  -8.726  -8.041
    9    HE1  MET  14           HE3      MET  14  -8.904  -7.922  -9.011

  No H/Q in entry =           9
  In of MODEL    4
    1    H    SER  15           H        SER  15 -12.853  -6.333  -4.558
    2    HA   SER  15           HA       SER  15 -14.099  -8.672  -5.205
    3    HB2  SER  15           HB2      SER  15 -13.441  -7.736  -2.876
    4    HB3  SER  15           HB3      SER  15 -15.105  -7.151  -2.827
    5    HG   SER  15           HG       SER  15 -15.502  -9.474  -3.605

  No H/Q in entry =           5
  In of MODEL    4
    1    H    THR  16           H        THR  16 -15.518  -5.486  -5.465
    2    HA   THR  16           HA       THR  16 -18.207  -6.690  -5.640
    3    HB   THR  16           HB       THR  16 -17.448  -3.775  -5.946
    4    HG1  THR  16           HG1      THR  16 -16.884  -4.741  -3.888
    5   HG21  THR  16          HG21      THR  16 -20.013  -5.317  -5.624
    6   HG23  THR  16          HG22      THR  16 -19.617  -4.055  -6.792
    7   HG22  THR  16          HG23      THR  16 -19.910  -3.633  -5.105

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL    4
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL    4
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL    4
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL    4
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL    4
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL    4
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL    4
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL    4
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL    4
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL    4
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL    4
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL    4
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL    4
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL    4
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL    4
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL    4
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL    4
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL    4
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL    4
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL    4
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL    4
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL    4
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL    4
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL    4
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL    4
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL    5
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.286 -14.280  -2.731
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.931  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.573 -11.558  -2.346
    6    HG3  GLU   5           HG3      GLU   5 -13.141 -11.874  -3.325

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL    5
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL    5
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL    5
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.428   1.548
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.706   1.338
    5    HG2  MET   9           HG2      MET   9 -14.274  -6.802  -0.974
    6    HG3  MET   9           HG3      MET   9 -13.805  -8.491  -0.783
    7    HE2  MET   9           HE1      MET   9 -17.828  -6.523  -1.168
    8    HE1  MET   9           HE2      MET   9 -16.303  -5.873  -0.574
    9    HE3  MET   9           HE3      MET   9 -17.378  -6.719   0.529

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.382   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.248  -6.174   0.970
    5   HG13  ILE  12          HG13      ILE  12  -9.701  -5.426  -0.549
    6   HG22  ILE  12          HG21      ILE  12  -8.737  -2.632   0.185
    7   HG21  ILE  12          HG22      ILE  12 -10.226  -2.035   0.920
    8   HG23  ILE  12          HG23      ILE  12 -10.284  -2.981  -0.573
    9   HD13  ILE  12          HD11      ILE  12  -7.313  -5.669  -0.568
   10   HD12  ILE  12          HD12      ILE  12  -7.177  -5.019   1.056
   11   HD11  ILE  12          HD13      ILE  12  -7.647  -3.971  -0.274

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.608   5.229
    4   HG12  ILE  13          HG12      ILE  13 -13.498  -3.056   2.663
    5   HG13  ILE  13          HG13      ILE  13 -14.925  -3.517   3.575
    6   HG23  ILE  13          HG21      ILE  13 -13.709  -1.838   6.737
    7   HG22  ILE  13          HG22      ILE  13 -15.152  -1.895   5.724
    8   HG21  ILE  13          HG23      ILE  13 -13.921  -0.665   5.437
    9   HD11  ILE  13          HD11      ILE  13 -14.220  -0.611   3.443
   10   HD13  ILE  13          HD12      ILE  13 -15.802  -1.372   3.558
   11   HD12  ILE  13          HD13      ILE  13 -14.940  -1.364   2.021

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL    5
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL    5
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL    5
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL    5
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL    5
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL    5
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL    5
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL    5
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL    5
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL    5
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL    5
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.923  -6.678  10.538
    4    HB3  HIS  52           HB3      HIS  52  -1.128  -7.718  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.269  -9.954  11.994
    6    HD2  HIS  52           HD2      HIS  52   1.226  -7.383   8.856
    7    HE1  HIS  52           HE1      HIS  52   2.465 -10.779  11.037
    8    HE2  HIS  52           HE2      HIS  52   3.062  -9.221   9.122

  No H/Q in entry =           8
  In of MODEL    5
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL    5
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL    5
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.221  10.983
    4    HG1  THR  56           HG1      THR  56   0.720 -12.325   9.919
    5   HG22  THR  56          HG21      THR  56   1.855 -14.274  10.511
    6   HG21  THR  56          HG22      THR  56   0.944 -15.685   9.978
    7   HG23  THR  56          HG23      THR  56   0.879 -15.182  11.665

  No H/Q in entry =           7
  In of MODEL    5
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.632   4.904
    4   HG12  ILE  59          HG12      ILE  59   2.392 -16.261   3.454
    5   HG13  ILE  59          HG13      ILE  59   1.150 -15.346   2.614
    6   HG21  ILE  59          HG21      ILE  59   1.108 -15.980   6.809
    7   HG23  ILE  59          HG22      ILE  59   2.401 -15.072   6.073
    8   HG22  ILE  59          HG23      ILE  59   2.255 -16.794   5.760
    9   HD13  ILE  59          HD11      ILE  59   2.991 -13.862   2.720
   10   HD12  ILE  59          HD12      ILE  59   3.344 -14.299   4.392
   11   HD11  ILE  59          HD13      ILE  59   1.920 -13.330   4.016

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL    5
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL    5
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL    5
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL    5
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL    5
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  74           H        LEU  74  -4.272 -13.669  -2.361
    2    HA   LEU  74           HA       LEU  74  -3.854 -12.540   0.146
    3    HB2  LEU  74           HB2      LEU  74  -2.978 -14.705  -0.500
    4    HB3  LEU  74           HB3      LEU  74  -1.966 -13.968  -1.738
    5    HG   LEU  74           HG       LEU  74  -0.700 -12.780   0.014
    6   HD13  LEU  74          HD11      LEU  74  -2.206 -12.464   1.792
    7   HD12  LEU  74          HD12      LEU  74  -1.140 -13.726   2.407
    8   HD11  LEU  74          HD13      LEU  74  -2.733 -14.146   1.774
    9   HD22  LEU  74          HD21      LEU  74   0.633 -14.635   0.508
   10   HD21  LEU  74          HD22      LEU  74  -0.364 -15.310  -0.769
   11   HD23  LEU  74          HD23      LEU  74  -0.757 -15.640   0.914

  No H/Q in entry =          11
  In of MODEL    5
    1    H    VAL  75           H        VAL  75  -2.640 -11.604  -2.976
    2    HA   VAL  75           HA       VAL  75  -0.663  -9.773  -1.989
    3    HB   VAL  75           HB       VAL  75  -1.958  -9.669  -4.718
    4   HG13  VAL  75          HG11      VAL  75  -0.455  -7.891  -4.516
    5   HG12  VAL  75          HG12      VAL  75   0.561  -9.147  -5.221
    6   HG11  VAL  75          HG13      VAL  75   0.649  -8.808  -3.493
    7   HG23  VAL  75          HG21      VAL  75  -0.226 -11.331  -5.434
    8   HG22  VAL  75          HG22      VAL  75  -1.386 -12.020  -4.299
    9   HG21  VAL  75          HG23      VAL  75   0.218 -11.553  -3.741

  No H/Q in entry =           9
  In of MODEL    5
    1    H    HIS  76           H        HIS  76  -4.290  -9.373  -3.266
    2    HA   HIS  76           HA       HIS  76  -4.594  -6.590  -3.191
    3    HB2  HIS  76           HB2      HIS  76  -6.332  -8.137  -4.085
    4    HB3  HIS  76           HB3      HIS  76  -6.703  -8.643  -2.442
    5    HD1  HIS  76           HD1      HIS  76  -5.957  -5.018  -2.772
    6    HD2  HIS  76           HD2      HIS  76  -9.373  -7.427  -2.958
    7    HE1  HIS  76           HE1      HIS  76  -7.959  -3.454  -2.606

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ALA  77           H        ALA  77  -4.680  -8.972  -0.631
    2    HA   ALA  77           HA       ALA  77  -5.510  -7.076   1.399
    3    HB3  ALA  77           HB1      ALA  77  -6.224  -9.253   1.876
    4    HB2  ALA  77           HB2      ALA  77  -4.818  -9.063   2.923
    5    HB1  ALA  77           HB3      ALA  77  -4.678  -9.970   1.418

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLN  78           H        GLN  78  -2.469  -8.770   0.527
    2    HA   GLN  78           HA       GLN  78  -0.926  -7.700   2.632
    3    HB2  GLN  78           HB2      GLN  78  -0.355  -9.641   1.061
    4    HB3  GLN  78           HB3      GLN  78   0.143  -8.413  -0.102
    5    HG2  GLN  78           HG2      GLN  78   1.713  -7.489   1.573
    6    HG3  GLN  78           HG3      GLN  78   1.247  -8.761   2.699
    7   HE21  GLN  78          HE21      GLN  78   1.003 -10.532   0.078
    8   HE22  GLN  78          HE22      GLN  78   2.608 -11.024  -0.170

  No H/Q in entry =           8
  In of MODEL    5
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL    5
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.192
    4    HB3  HIS  80           HB3      HIS  80  -5.393  -2.789   2.195
    5    HD1  HIS  80           HD1      HIS  80  -6.956  -1.180   1.150
    6    HD2  HIS  80           HD2      HIS  80  -4.789  -3.277  -1.729
    7    HE1  HIS  80           HE1      HIS  80  -7.766  -0.345  -1.107
    8    HE2  HIS  80           HE2      HIS  80  -6.451  -1.619  -2.872

  No H/Q in entry =           8
  In of MODEL    5
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL    5
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL    5
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL    5
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL    5
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL    5
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL    5
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL    5
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.421 -20.431  -4.407
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.477
    5    HG2  GLU   5           HG2      GLU   5  10.903 -19.844  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.486 -19.334  -2.387

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL    5
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL    5
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL    5
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.034 -16.708   0.855
    4    HB3  MET   9           HB3      MET   9  13.733 -16.162   2.505
    5    HG2  MET   9           HG2      MET   9  11.345 -16.593   2.256
    6    HG3  MET   9           HG3      MET   9  11.574 -17.032   0.563
    7    HE2  MET   9           HE1      MET   9  12.582 -19.221   4.373
    8    HE1  MET   9           HE2      MET   9  12.381 -17.495   4.081
    9    HE3  MET   9           HE3      MET   9  13.944 -18.255   3.793

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.314
    4   HG12  ILE  12          HG12      ILE  12  10.856 -11.568  -0.013
    5   HG13  ILE  12          HG13      ILE  12   9.639 -12.258   1.042
    6   HG21  ILE  12          HG21      ILE  12   9.713  -9.775   3.044
    7   HG23  ILE  12          HG22      ILE  12  10.851 -10.566   4.135
    8   HG22  ILE  12          HG23      ILE  12   9.521 -11.483   3.429
    9   HD13  ILE  12          HD11      ILE  12   8.552 -10.543  -0.209
   10   HD12  ILE  12          HD12      ILE  12   9.876  -9.421   0.048
   11   HD11  ILE  12          HD13      ILE  12   8.831  -9.868   1.389

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.099 -11.638   3.844
    4   HG12  ILE  13          HG12      ILE  13  13.812 -12.621   4.669
    5   HG13  ILE  13          HG13      ILE  13  15.290 -13.527   4.971
    6   HG23  ILE  13          HG21      ILE  13  17.383 -10.427   5.414
    7   HG22  ILE  13          HG22      ILE  13  17.064 -11.962   6.220
    8   HG21  ILE  13          HG23      ILE  13  16.129 -10.529   6.649
    9   HD11  ILE  13          HD11      ILE  13  14.432 -11.549   7.043
   10   HD13  ILE  13          HD12      ILE  13  15.256 -13.094   7.240
   11   HD12  ILE  13          HD13      ILE  13  13.523 -13.054   6.916

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL    5
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL    5
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL    5
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL    5
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL    5
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL    5
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL    5
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL    5
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL    5
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL    5
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL    5
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.283  -1.676  -5.702
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.770  -6.619
    5    HD1  HIS  52           HD1      HIS  52  17.577  -1.841  -9.248
    6    HD2  HIS  52           HD2      HIS  52  13.992  -1.126  -7.246
    7    HE1  HIS  52           HE1      HIS  52  15.938  -1.012 -10.990
    8    HE2  HIS  52           HE2      HIS  52  13.747  -0.570  -9.786

  No H/Q in entry =           8
  In of MODEL    5
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL    5
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL    5
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.066
    4    HG1  THR  56           HG1      THR  56  15.857  -3.573 -11.289
    5   HG22  THR  56          HG21      THR  56  16.206  -3.462 -13.593
    6   HG21  THR  56          HG22      THR  56  16.295  -5.090 -14.264
    7   HG23  THR  56          HG23      THR  56  17.773  -4.175 -13.973

  No H/Q in entry =           7
  In of MODEL    5
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.830  -7.164 -12.524
    4   HG12  ILE  59          HG12      ILE  59   9.902  -7.027 -14.851
    5   HG13  ILE  59          HG13      ILE  59   9.519  -7.846 -13.344
    6   HG21  ILE  59          HG21      ILE  59  13.413  -6.441 -14.276
    7   HG23  ILE  59          HG22      ILE  59  12.095  -5.313 -14.097
    8   HG22  ILE  59          HG23      ILE  59  12.115  -6.423 -15.457
    9   HD13  ILE  59          HD11      ILE  59   8.655  -5.664 -13.048
   10   HD12  ILE  59          HD12      ILE  59  10.078  -4.919 -13.777
   11   HD11  ILE  59          HD13      ILE  59  10.188  -5.650 -12.177

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL    5
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL    5
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL    5
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL    5
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL    5
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  74           H        LEU  74   6.974 -13.149  -8.610
    2    HA   LEU  74           HA       LEU  74   8.918 -11.212  -8.114
    3    HB2  LEU  74           HB2      LEU  74   8.319 -11.935 -10.346
    4    HB3  LEU  74           HB3      LEU  74   6.678 -11.332 -10.144
    5    HG   LEU  74           HG       LEU  74   7.561  -9.030  -9.958
    6   HD13  LEU  74          HD11      LEU  74   9.731  -9.244  -9.082
    7   HD12  LEU  74          HD12      LEU  74  10.035  -8.831 -10.768
    8   HD11  LEU  74          HD13      LEU  74  10.178 -10.504 -10.230
    9   HD22  LEU  74          HD21      LEU  74   7.734  -8.767 -12.275
   10   HD21  LEU  74          HD22      LEU  74   7.086 -10.395 -12.201
   11   HD23  LEU  74          HD23      LEU  74   8.811 -10.151 -12.444

  No H/Q in entry =          11
  In of MODEL    5
    1    H    VAL  75           H        VAL  75   5.432 -11.054  -7.874
    2    HA   VAL  75           HA       VAL  75   5.243  -8.255  -7.383
    3    HB   VAL  75           HB       VAL  75   3.314 -10.359  -6.383
    4   HG13  VAL  75          HG11      VAL  75   2.667  -8.236  -5.590
    5   HG12  VAL  75          HG12      VAL  75   1.714  -8.430  -7.061
    6   HG11  VAL  75          HG13      VAL  75   3.165  -7.429  -7.076
    7   HG23  VAL  75          HG21      VAL  75   2.188 -10.114  -8.613
    8   HG22  VAL  75          HG22      VAL  75   3.779 -10.863  -8.736
    9   HG21  VAL  75          HG23      VAL  75   3.569  -9.167  -9.167

  No H/Q in entry =           9
  In of MODEL    5
    1    H    HIS  76           H        HIS  76   5.489 -11.156  -5.153
    2    HA   HIS  76           HA       HIS  76   5.191  -9.814  -2.708
    3    HB2  HIS  76           HB2      HIS  76   5.293 -12.321  -3.053
    4    HB3  HIS  76           HB3      HIS  76   7.047 -12.154  -3.167
    5    HD1  HIS  76           HD1      HIS  76   7.701 -13.198  -0.942
    6    HD2  HIS  76           HD2      HIS  76   4.855 -10.181  -0.514
    7    HE1  HIS  76           HE1      HIS  76   7.482 -12.766   1.544

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ALA  77           H        ALA  77   8.117 -10.455  -4.634
    2    HA   ALA  77           HA       ALA  77   9.900  -9.187  -2.807
    3    HB1  ALA  77           HB1      ALA  77  10.979 -10.618  -4.294
    4    HB3  ALA  77           HB2      ALA  77  11.343  -9.036  -4.983
    5    HB2  ALA  77           HB3      ALA  77  10.068 -10.031  -5.686

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLN  78           H        GLN  78   8.132  -8.073  -5.673
    2    HA   GLN  78           HA       GLN  78   9.289  -5.488  -5.790
    3    HB2  GLN  78           HB2      GLN  78   7.900  -6.704  -7.573
    4    HB3  GLN  78           HB3      GLN  78   6.483  -6.180  -6.663
    5    HG2  GLN  78           HG2      GLN  78   7.234  -3.834  -6.868
    6    HG3  GLN  78           HG3      GLN  78   8.619  -4.368  -7.817
    7   HE21  GLN  78          HE21      GLN  78   6.599  -6.542  -8.930
    8   HE22  GLN  78          HE22      GLN  78   5.795  -5.688 -10.157

  No H/Q in entry =           8
  In of MODEL    5
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL    5
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.185  -7.445  -0.520
    4    HB3  HIS  80           HB3      HIS  80  10.031  -6.562   0.752
    5    HD1  HIS  80           HD1      HIS  80   9.499  -7.353   3.033
    6    HD2  HIS  80           HD2      HIS  80   6.313  -8.001   0.423
    7    HE1  HIS  80           HE1      HIS  80   7.675  -8.487   4.391
    8    HE2  HIS  80           HE2      HIS  80   5.727  -8.886   2.809

  No H/Q in entry =           8
  In of MODEL    5
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL    5
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL    5
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL    5
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL    5
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL    5
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL    5
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL    5
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.104  -6.381 -21.733
    4    HB3  GLU   5           HB3      GLU   5   0.421  -5.148 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.483  -4.497 -21.791
    6    HG3  GLU   5           HG3      GLU   5   2.164  -5.682 -20.529

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL    5
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL    5
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL    5
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.435 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.215  -0.959 -19.647
    6    HG3  MET   9           HG3      MET   9   3.652  -1.706 -19.975
    7    HE2  MET   9           HE1      MET   9   6.996  -0.454 -22.729
    8    HE1  MET   9           HE2      MET   9   6.559   0.152 -21.133
    9    HE3  MET   9           HE3      MET   9   5.769   0.809 -22.564

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.478   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.666   0.279 -14.895
    5   HG13  ILE  12          HG13      ILE  12   4.212  -0.541 -14.954
    6   HG21  ILE  12          HG21      ILE  12   5.631   1.622 -13.089
    7   HG23  ILE  12          HG22      ILE  12   6.265   2.526 -14.465
    8   HG22  ILE  12          HG23      ILE  12   6.298   0.764 -14.477
    9   HD13  ILE  12          HD11      ILE  12   3.272  -1.010 -12.812
   10   HD12  ILE  12          HD12      ILE  12   2.817   0.667 -12.568
   11   HD11  ILE  12          HD13      ILE  12   4.513   0.203 -12.543

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.808 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.834   3.931 -17.792
    5   HG13  ILE  13          HG13      ILE  13   5.632   4.711 -19.358
    6   HG23  ILE  13          HG21      ILE  13   4.746   8.047 -17.849
    7   HG22  ILE  13          HG22      ILE  13   5.815   7.362 -19.073
    8   HG21  ILE  13          HG23      ILE  13   6.388   7.567 -17.419
    9   HD11  ILE  13          HD11      ILE  13   7.575   5.935 -17.443
   10   HD13  ILE  13          HD12      ILE  13   7.633   5.851 -19.203
   11   HD12  ILE  13          HD13      ILE  13   8.040   4.433 -18.239

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL    5
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL    5
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL    5
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL    5
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL    5
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL    5
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL    5
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL    5
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL    5
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL    5
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL    5
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.076   7.005  -8.732
    4    HB3  HIS  52           HB3      HIS  52  -7.499   7.709  -9.501
    5    HD1  HIS  52           HD1      HIS  52  -9.777   6.414  -9.200
    6    HD2  HIS  52           HD2      HIS  52  -6.625   4.928  -6.914
    7    HE1  HIS  52           HE1      HIS  52 -10.808   4.874  -7.482
    8    HE2  HIS  52           HE2      HIS  52  -8.901   3.962  -6.071

  No H/Q in entry =           8
  In of MODEL    5
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL    5
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL    5
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.901   3.587 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.689   3.366  -9.549
    5   HG22  THR  56          HG21      THR  56 -12.949   2.781  -9.432
    6   HG21  THR  56          HG22      THR  56 -13.307   1.678 -10.760
    7   HG23  THR  56          HG23      THR  56 -13.809   3.364 -10.856

  No H/Q in entry =           7
  In of MODEL    5
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.654  -1.983 -10.401
    4   HG12  ILE  59          HG12      ILE  59 -10.968  -4.306  -8.993
    5   HG13  ILE  59          HG13      ILE  59  -9.380  -4.448  -9.730
    6   HG23  ILE  59          HG21      ILE  59 -11.849  -1.047 -10.282
    7   HG22  ILE  59          HG22      ILE  59 -11.524  -1.727  -8.709
    8   HG21  ILE  59          HG23      ILE  59 -12.572  -2.580  -9.830
    9   HD13  ILE  59          HD11      ILE  59  -8.831  -3.816  -7.552
   10   HD12  ILE  59          HD12      ILE  59 -10.228  -2.752  -7.410
   11   HD11  ILE  59          HD13      ILE  59  -8.845  -2.263  -8.387

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL    5
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL    5
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL    5
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL    5
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL    5
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  74           H        LEU  74  -3.295  -7.032 -13.375
    2    HA   LEU  74           HA       LEU  74  -3.907  -4.377 -12.789
    3    HB2  LEU  74           HB2      LEU  74  -5.580  -6.131 -12.864
    4    HB3  LEU  74           HB3      LEU  74  -4.814  -6.977 -11.526
    5    HG   LEU  74           HG       LEU  74  -5.329  -5.070 -10.040
    6   HD13  LEU  74          HD11      LEU  74  -5.389  -3.176 -11.430
    7   HD12  LEU  74          HD12      LEU  74  -7.093  -3.441 -11.063
    8   HD11  LEU  74          HD13      LEU  74  -6.434  -3.956 -12.615
    9   HD22  LEU  74          HD21      LEU  74  -7.531  -5.771  -9.675
   10   HD21  LEU  74          HD22      LEU  74  -6.972  -7.057 -10.732
   11   HD23  LEU  74          HD23      LEU  74  -7.925  -5.734 -11.393

  No H/Q in entry =          11
  In of MODEL    5
    1    H    VAL  75           H        VAL  75  -2.298  -6.814 -10.878
    2    HA   VAL  75           HA       VAL  75  -2.174  -5.337  -8.446
    3    HB   VAL  75           HB       VAL  75  -0.189  -7.441  -9.315
    4   HG13  VAL  75          HG11      VAL  75   0.474  -6.530  -7.248
    5   HG12  VAL  75          HG12      VAL  75  -0.478  -7.936  -6.772
    6   HG11  VAL  75          HG13      VAL  75  -1.190  -6.325  -6.701
    7   HG23  VAL  75          HG21      VAL  75  -1.793  -9.095  -8.320
    8   HG22  VAL  75          HG22      VAL  75  -2.434  -8.326  -9.772
    9   HG21  VAL  75          HG23      VAL  75  -2.984  -7.804  -8.181

  No H/Q in entry =           9
  In of MODEL    5
    1    H    HIS  76           H        HIS  76   0.152  -5.692 -11.252
    2    HA   HIS  76           HA       HIS  76   2.284  -4.212 -10.191
    3    HB2  HIS  76           HB2      HIS  76   2.257  -5.548 -12.359
    4    HB3  HIS  76           HB3      HIS  76   1.473  -4.152 -13.098
    5    HD1  HIS  76           HD1      HIS  76   3.318  -3.103 -14.446
    6    HD2  HIS  76           HD2      HIS  76   4.551  -4.028 -10.573
    7    HE1  HIS  76           HE1      HIS  76   5.645  -2.140 -14.187

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ALA  77           H        ALA  77  -0.542  -3.137 -12.070
    2    HA   ALA  77           HA       ALA  77   0.193  -0.386 -12.086
    3    HB1  ALA  77           HB1      ALA  77  -1.386  -0.939 -13.714
    4    HB2  ALA  77           HB2      ALA  77  -2.379  -0.142 -12.495
    5    HB3  ALA  77           HB3      ALA  77  -2.355  -1.902 -12.597

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLN  78           H        GLN  78  -1.820  -2.361  -9.940
    2    HA   GLN  78           HA       GLN  78  -2.768  -0.226  -8.332
    3    HB2  GLN  78           HB2      GLN  78  -3.644  -2.635  -8.473
    4    HB3  GLN  78           HB3      GLN  78  -2.325  -3.057  -7.381
    5    HG2  GLN  78           HG2      GLN  78  -3.147  -1.378  -5.763
    6    HG3  GLN  78           HG3      GLN  78  -4.491  -1.009  -6.842
    7   HE21  GLN  78          HE21      GLN  78  -4.369  -4.100  -7.521
    8   HE22  GLN  78          HE22      GLN  78  -5.269  -4.782  -6.254

  No H/Q in entry =           8
  In of MODEL    5
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL    5
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.305   0.905 -10.476
    4    HB3  HIS  80           HB3      HIS  80   2.985   2.522 -10.288
    5    HD1  HIS  80           HD1      HIS  80   5.369   2.676 -10.918
    6    HD2  HIS  80           HD2      HIS  80   4.407  -1.144  -9.555
    7    HE1  HIS  80           HE1      HIS  80   7.497   1.299 -11.075
    8    HE2  HIS  80           HE2      HIS  80   6.922  -1.034 -10.248

  No H/Q in entry =           8
  In of MODEL    5
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL    5
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL    5
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL    5
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL    5
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL    5
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL    5
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL    5
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL    5
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL    5
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL    5
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL    5
    1    H    PHE   9           H        PHE   9 -21.272   0.630  -3.906
    2    HA   PHE   9           HA       PHE   9 -18.515   1.518  -4.554
    3    HB2  PHE   9           HB2      PHE   9 -20.316   2.428  -2.302
    4    HB3  PHE   9           HB3      PHE   9 -18.608   2.839  -2.444
    5    HD1  PHE   9           HD1      PHE   9 -21.971   3.487  -3.666
    6    HD2  PHE   9           HD2      PHE   9 -17.797   4.180  -4.396
    7    HE1  PHE   9           HE1      PHE   9 -22.550   5.343  -5.203
    8    HE2  PHE   9           HE2      PHE   9 -18.376   6.036  -5.937
    9    HZ   PHE   9           HZ       PHE   9 -20.753   6.618  -6.340

  No H/Q in entry =           9
  In of MODEL    5
    1    H    CYS  10           H        CYS  10 -16.900   0.887  -3.265
    2    HA   CYS  10           HA       CYS  10 -17.158  -0.814  -0.947
    3    HB2  CYS  10           HB2      CYS  10 -16.087  -2.750  -1.764
    4    HB3  CYS  10           HB3      CYS  10 -17.212  -2.331  -3.059

  No H/Q in entry =           4
  In of MODEL    5
    1    H    SER  11           H        SER  11 -14.410  -1.498  -0.455
    2    HA   SER  11           HA       SER  11 -13.462   1.122  -0.024
    3    HB2  SER  11           HB2      SER  11 -12.129  -1.568   0.119
    4    HB3  SER  11           HB3      SER  11 -11.210  -0.099   0.373
    5    HG   SER  11           HG       SER  11 -12.790  -1.371   2.073

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  12           H        ALA  12 -12.158  -1.345  -2.369
    2    HA   ALA  12           HA       ALA  12 -10.774   0.902  -3.673
    3    HB1  ALA  12           HB1      ALA  12 -10.051  -1.824  -3.053
    4    HB3  ALA  12           HB2      ALA  12  -9.030  -0.510  -3.632
    5    HB2  ALA  12           HB3      ALA  12  -9.893  -1.527  -4.784

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  13           H        GLY  13 -12.861  -1.886  -4.320
    2    HA3  GLY  13           HA2      GLY  13 -14.684  -1.485  -5.936
    3    HA2  GLY  13           HA3      GLY  13 -13.477  -0.720  -6.962

  No H/Q in entry =           3
  In of MODEL    5
    1    H    MET  14           H        MET  14 -12.684  -3.704  -5.207
    2    HA   MET  14           HA       MET  14 -12.556  -5.011  -7.850
    3    HB2  MET  14           HB2      MET  14 -10.452  -4.759  -6.470
    4    HB3  MET  14           HB3      MET  14 -11.155  -5.911  -5.334
    5    HG2  MET  14           HG2      MET  14 -11.364  -7.578  -7.129
    6    HG3  MET  14           HG3      MET  14 -10.706  -6.427  -8.291
    7    HE1  MET  14           HE1      MET  14  -9.636  -8.510  -8.740
    8    HE3  MET  14           HE2      MET  14  -8.389  -9.333  -7.807
    9    HE2  MET  14           HE3      MET  14  -7.957  -7.965  -8.827

  No H/Q in entry =           9
  In of MODEL    5
    1    H    SER  15           H        SER  15 -12.842  -6.329  -4.565
    2    HA   SER  15           HA       SER  15 -14.098  -8.666  -5.199
    3    HB2  SER  15           HB2      SER  15 -13.438  -7.715  -2.875
    4    HB3  SER  15           HB3      SER  15 -15.103  -7.134  -2.829
    5    HG   SER  15           HG       SER  15 -15.616  -9.393  -3.489

  No H/Q in entry =           5
  In of MODEL    5
    1    H    THR  16           H        THR  16 -15.517  -5.474  -5.467
    2    HA   THR  16           HA       THR  16 -18.203  -6.684  -5.636
    3    HB   THR  16           HB       THR  16 -17.447  -3.768  -5.943
    4    HG1  THR  16           HG1      THR  16 -17.033  -3.949  -3.895
    5   HG22  THR  16          HG21      THR  16 -19.910  -3.622  -5.113
    6   HG21  THR  16          HG22      THR  16 -20.013  -5.308  -5.624
    7   HG23  THR  16          HG23      THR  16 -19.614  -4.054  -6.798

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL    5
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL    5
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL    5
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL    5
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL    5
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL    5
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL    5
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL    5
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL    5
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL    5
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL    5
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL    5
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL    5
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.007
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL    5
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL    5
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL    5
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL    5
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL    5
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL    5
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL    5
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL    5
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL    5
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL    5
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL    5
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL    5
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL    6
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.288 -14.283  -2.729
    4    HB3  GLU   5           HB3      GLU   5 -14.695 -13.927  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.576 -11.560  -2.356
    6    HG3  GLU   5           HG3      GLU   5 -13.133 -11.873  -3.319

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL    6
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL    6
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL    6
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.429   1.546
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.707   1.340
    5    HG2  MET   9           HG2      MET   9 -14.282  -6.797  -0.972
    6    HG3  MET   9           HG3      MET   9 -13.800  -8.483  -0.786
    7    HE1  MET   9           HE1      MET   9 -16.314  -5.883  -0.550
    8    HE3  MET   9           HE2      MET   9 -17.390  -6.753   0.538
    9    HE2  MET   9           HE3      MET   9 -17.839  -6.543  -1.148

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.945  -4.380   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.255  -6.176   0.969
    5   HG13  ILE  12          HG13      ILE  12  -9.700  -5.424  -0.551
    6   HG22  ILE  12          HG21      ILE  12  -8.734  -2.612   0.221
    7   HG21  ILE  12          HG22      ILE  12 -10.260  -2.043   0.899
    8   HG23  ILE  12          HG23      ILE  12 -10.246  -2.995  -0.590
    9   HD13  ILE  12          HD11      ILE  12  -7.312  -5.679  -0.558
   10   HD12  ILE  12          HD12      ILE  12  -7.180  -5.025   1.065
   11   HD11  ILE  12          HD13      ILE  12  -7.642  -3.978  -0.270

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.494  -3.070   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.924  -3.522   3.578
    6   HG22  ILE  13          HG21      ILE  13 -15.156  -1.883   5.707
    7   HG21  ILE  13          HG22      ILE  13 -13.913  -0.662   5.432
    8   HG23  ILE  13          HG23      ILE  13 -13.723  -1.836   6.735
    9   HD12  ILE  13          HD11      ILE  13 -14.937  -1.375   2.012
   10   HD11  ILE  13          HD12      ILE  13 -14.206  -0.623   3.424
   11   HD13  ILE  13          HD13      ILE  13 -15.795  -1.373   3.552

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL    6
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL    6
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL    6
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL    6
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL    6
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL    6
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL    6
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL    6
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL    6
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL    6
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL    6
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.937  -6.672  10.554
    4    HB3  HIS  52           HB3      HIS  52  -1.117  -7.737  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.205 -10.070  11.809
    6    HD2  HIS  52           HD2      HIS  52   1.300  -7.218   8.973
    7    HE1  HIS  52           HE1      HIS  52   2.423 -10.829  10.850
    8    HE2  HIS  52           HE2      HIS  52   3.105  -9.099   9.120

  No H/Q in entry =           8
  In of MODEL    6
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL    6
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL    6
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.217  10.983
    4    HG1  THR  56           HG1      THR  56  -0.102 -12.092   9.764
    5   HG23  THR  56          HG21      THR  56   0.898 -15.177  11.671
    6   HG22  THR  56          HG22      THR  56   1.849 -14.280  10.489
    7   HG21  THR  56          HG23      THR  56   0.926 -15.694   9.986

  No H/Q in entry =           7
  In of MODEL    6
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.635   4.917
    4   HG12  ILE  59          HG12      ILE  59   2.373 -16.252   3.426
    5   HG13  ILE  59          HG13      ILE  59   1.130 -15.314   2.614
    6   HG22  ILE  59          HG21      ILE  59   2.288 -16.764   5.710
    7   HG21  ILE  59          HG22      ILE  59   1.101 -16.080   6.788
    8   HG23  ILE  59          HG23      ILE  59   2.372 -15.063   6.129
    9   HD13  ILE  59          HD11      ILE  59   2.977 -13.842   2.724
   10   HD12  ILE  59          HD12      ILE  59   3.355 -14.315   4.380
   11   HD11  ILE  59          HD13      ILE  59   1.932 -13.329   4.048

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL    6
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL    6
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL    6
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL    6
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL    6
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  74           H        LEU  74  -4.301 -13.685  -2.342
    2    HA   LEU  74           HA       LEU  74  -3.893 -12.585   0.167
    3    HB2  LEU  74           HB2      LEU  74  -2.996 -14.732  -0.502
    4    HB3  LEU  74           HB3      LEU  74  -1.981 -13.971  -1.722
    5    HG   LEU  74           HG       LEU  74  -0.748 -12.789   0.069
    6   HD13  LEU  74          HD11      LEU  74  -2.256 -12.559   1.854
    7   HD12  LEU  74          HD12      LEU  74  -1.180 -13.832   2.428
    8   HD11  LEU  74          HD13      LEU  74  -2.765 -14.245   1.772
    9   HD21  LEU  74          HD21      LEU  74  -0.355 -15.296  -0.796
   10   HD23  LEU  74          HD22      LEU  74  -0.737 -15.676   0.874
   11   HD22  LEU  74          HD23      LEU  74   0.619 -14.616   0.506

  No H/Q in entry =          11
  In of MODEL    6
    1    H    VAL  75           H        VAL  75  -2.632 -11.607  -2.922
    2    HA   VAL  75           HA       VAL  75  -0.683  -9.777  -1.880
    3    HB   VAL  75           HB       VAL  75  -1.956  -9.901  -4.633
    4   HG13  VAL  75          HG11      VAL  75  -0.913  -7.843  -4.656
    5   HG12  VAL  75          HG12      VAL  75   0.460  -8.863  -5.084
    6   HG11  VAL  75          HG13      VAL  75   0.261  -8.303  -3.425
    7   HG21  VAL  75          HG21      VAL  75  -0.811 -12.016  -3.941
    8   HG23  VAL  75          HG22      VAL  75   0.659 -11.092  -3.635
    9   HG22  VAL  75          HG23      VAL  75   0.018 -11.207  -5.272

  No H/Q in entry =           9
  In of MODEL    6
    1    H    HIS  76           H        HIS  76  -4.278  -9.364  -3.247
    2    HA   HIS  76           HA       HIS  76  -4.603  -6.592  -3.166
    3    HB2  HIS  76           HB2      HIS  76  -6.330  -8.154  -4.057
    4    HB3  HIS  76           HB3      HIS  76  -6.707  -8.650  -2.413
    5    HD1  HIS  76           HD1      HIS  76  -5.974  -5.026  -2.742
    6    HD2  HIS  76           HD2      HIS  76  -9.380  -7.447  -2.972
    7    HE1  HIS  76           HE1      HIS  76  -7.983  -3.469  -2.602

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ALA  77           H        ALA  77  -4.693  -8.964  -0.590
    2    HA   ALA  77           HA       ALA  77  -5.523  -7.043   1.419
    3    HB1  ALA  77           HB1      ALA  77  -4.740  -9.942   1.443
    4    HB3  ALA  77           HB2      ALA  77  -6.253  -9.191   1.950
    5    HB2  ALA  77           HB3      ALA  77  -4.814  -9.038   2.957

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLN  78           H        GLN  78  -2.492  -8.754   0.550
    2    HA   GLN  78           HA       GLN  78  -0.940  -7.681   2.649
    3    HB2  GLN  78           HB2      GLN  78  -0.384  -9.635   1.087
    4    HB3  GLN  78           HB3      GLN  78   0.124  -8.416  -0.080
    5    HG2  GLN  78           HG2      GLN  78   1.719  -7.508   1.559
    6    HG3  GLN  78           HG3      GLN  78   1.213  -8.720   2.732
    7   HE21  GLN  78          HE21      GLN  78   3.924  -8.634   1.891
    8   HE22  GLN  78          HE22      GLN  78   4.248 -10.007   0.947

  No H/Q in entry =           8
  In of MODEL    6
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL    6
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.202   1.172
    4    HB3  HIS  80           HB3      HIS  80  -5.388  -2.806   2.203
    5    HD1  HIS  80           HD1      HIS  80  -6.721  -0.964   1.184
    6    HD2  HIS  80           HD2      HIS  80  -5.035  -3.435  -1.720
    7    HE1  HIS  80           HE1      HIS  80  -7.599  -0.144  -1.054
    8    HE2  HIS  80           HE2      HIS  80  -6.578  -1.646  -2.833

  No H/Q in entry =           8
  In of MODEL    6
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL    6
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL    6
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL    6
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL    6
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL    6
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL    6
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL    6
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.423 -20.432  -4.409
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.883  -3.474
    5    HG2  GLU   5           HG2      GLU   5  10.899 -19.853  -1.469
    6    HG3  GLU   5           HG3      GLU   5   9.489 -19.326  -2.388

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL    6
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL    6
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL    6
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.034 -16.708   0.855
    4    HB3  MET   9           HB3      MET   9  13.732 -16.162   2.505
    5    HG2  MET   9           HG2      MET   9  11.346 -16.596   2.258
    6    HG3  MET   9           HG3      MET   9  11.572 -17.028   0.563
    7    HE1  MET   9           HE1      MET   9  12.416 -17.489   4.068
    8    HE3  MET   9           HE2      MET   9  13.961 -18.284   3.779
    9    HE2  MET   9           HE3      MET   9  12.589 -19.223   4.363

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.314
    4   HG12  ILE  12          HG12      ILE  12  10.856 -11.583  -0.009
    5   HG13  ILE  12          HG13      ILE  12   9.628 -12.249   1.048
    6   HG21  ILE  12          HG21      ILE  12   9.717  -9.772   3.046
    7   HG23  ILE  12          HG22      ILE  12  10.850 -10.571   4.136
    8   HG22  ILE  12          HG23      ILE  12   9.517 -11.480   3.426
    9   HD13  ILE  12          HD11      ILE  12   8.561 -10.534  -0.216
   10   HD12  ILE  12          HD12      ILE  12   9.902  -9.428   0.021
   11   HD11  ILE  12          HD13      ILE  12   8.854  -9.840   1.371

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.814 -12.623   4.657
    5   HG13  ILE  13          HG13      ILE  13  15.292 -13.528   4.964
    6   HG22  ILE  13          HG21      ILE  13  17.052 -11.966   6.230
    7   HG21  ILE  13          HG22      ILE  13  16.123 -10.527   6.650
    8   HG23  ILE  13          HG23      ILE  13  17.385 -10.435   5.421
    9   HD12  ILE  13          HD11      ILE  13  13.515 -13.059   6.907
   10   HD11  ILE  13          HD12      ILE  13  14.422 -11.554   7.032
   11   HD13  ILE  13          HD13      ILE  13  15.247 -13.098   7.234

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL    6
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL    6
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL    6
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL    6
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL    6
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL    6
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL    6
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL    6
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL    6
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL    6
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL    6
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.303  -1.676  -5.691
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.771  -6.642
    5    HD1  HIS  52           HD1      HIS  52  17.454  -2.025  -9.294
    6    HD2  HIS  52           HD2      HIS  52  14.044  -0.939  -7.156
    7    HE1  HIS  52           HE1      HIS  52  15.795  -1.144 -10.992
    8    HE2  HIS  52           HE2      HIS  52  13.711  -0.477  -9.705

  No H/Q in entry =           8
  In of MODEL    6
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL    6
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL    6
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.062
    4    HG1  THR  56           HG1      THR  56  16.021  -4.139 -10.648
    5   HG23  THR  56          HG21      THR  56  17.771  -4.152 -13.977
    6   HG22  THR  56          HG22      THR  56  16.186  -3.482 -13.593
    7   HG21  THR  56          HG23      THR  56  16.316  -5.106 -14.263

  No H/Q in entry =           7
  In of MODEL    6
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.842  -7.161 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.884  -7.046 -14.830
    5   HG13  ILE  59          HG13      ILE  59   9.524  -7.847 -13.309
    6   HG22  ILE  59          HG21      ILE  59  12.053  -6.405 -15.444
    7   HG21  ILE  59          HG22      ILE  59  13.412  -6.504 -14.354
    8   HG23  ILE  59          HG23      ILE  59  12.157  -5.306 -14.080
    9   HD13  ILE  59          HD11      ILE  59   8.660  -5.664 -13.024
   10   HD12  ILE  59          HD12      ILE  59  10.067  -4.924 -13.788
   11   HD11  ILE  59          HD13      ILE  59  10.208  -5.633 -12.180

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL    6
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL    6
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL    6
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL    6
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL    6
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  74           H        LEU  74   7.016 -13.177  -8.612
    2    HA   LEU  74           HA       LEU  74   8.961 -11.252  -8.146
    3    HB2  LEU  74           HB2      LEU  74   8.313 -11.969 -10.368
    4    HB3  LEU  74           HB3      LEU  74   6.686 -11.336 -10.140
    5    HG   LEU  74           HG       LEU  74   7.625  -9.050  -9.959
    6   HD13  LEU  74          HD11      LEU  74   9.816  -9.315  -9.154
    7   HD12  LEU  74          HD12      LEU  74  10.078  -8.909 -10.849
    8   HD11  LEU  74          HD13      LEU  74  10.195 -10.585 -10.314
    9   HD21  LEU  74          HD21      LEU  74   7.049 -10.404 -12.200
   10   HD23  LEU  74          HD22      LEU  74   8.764 -10.180 -12.491
   11   HD22  LEU  74          HD23      LEU  74   7.726  -8.778 -12.263

  No H/Q in entry =          11
  In of MODEL    6
    1    H    VAL  75           H        VAL  75   5.486 -11.029  -7.882
    2    HA   VAL  75           HA       VAL  75   5.370  -8.229  -7.344
    3    HB   VAL  75           HB       VAL  75   3.423 -10.438  -6.611
    4   HG13  VAL  75          HG11      VAL  75   2.725  -8.664  -5.283
    5   HG12  VAL  75          HG12      VAL  75   1.854  -8.314  -6.776
    6   HG11  VAL  75          HG13      VAL  75   3.344  -7.448  -6.400
    7   HG21  VAL  75          HG21      VAL  75   3.875 -10.227  -9.056
    8   HG23  VAL  75          HG22      VAL  75   3.446  -8.520  -8.972
    9   HG22  VAL  75          HG23      VAL  75   2.228  -9.749  -8.645

  No H/Q in entry =           9
  In of MODEL    6
    1    H    HIS  76           H        HIS  76   5.546 -11.189  -5.189
    2    HA   HIS  76           HA       HIS  76   5.239  -9.950  -2.705
    3    HB2  HIS  76           HB2      HIS  76   5.513 -12.470  -3.294
    4    HB3  HIS  76           HB3      HIS  76   7.239 -12.158  -3.092
    5    HD1  HIS  76           HD1      HIS  76   6.482  -9.876  -0.821
    6    HD2  HIS  76           HD2      HIS  76   5.586 -13.948  -0.783
    7    HE1  HIS  76           HE1      HIS  76   6.119 -10.507   1.604

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ALA  77           H        ALA  77   8.175 -10.446  -4.637
    2    HA   ALA  77           HA       ALA  77   9.918  -9.171  -2.765
    3    HB2  ALA  77           HB1      ALA  77  10.132 -10.036  -5.627
    4    HB1  ALA  77           HB2      ALA  77  11.064 -10.564  -4.227
    5    HB3  ALA  77           HB3      ALA  77  11.377  -8.986  -4.948

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLN  78           H        GLN  78   8.174  -8.077  -5.662
    2    HA   GLN  78           HA       GLN  78   9.311  -5.487  -5.763
    3    HB2  GLN  78           HB2      GLN  78   7.942  -6.713  -7.556
    4    HB3  GLN  78           HB3      GLN  78   6.516  -6.191  -6.661
    5    HG2  GLN  78           HG2      GLN  78   7.220  -3.849  -6.882
    6    HG3  GLN  78           HG3      GLN  78   8.662  -4.356  -7.760
    7   HE21  GLN  78          HE21      GLN  78   6.811  -2.619  -9.019
    8   HE22  GLN  78          HE22      GLN  78   6.022  -3.464 -10.263

  No H/Q in entry =           8
  In of MODEL    6
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL    6
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.161  -7.455  -0.515
    4    HB3  HIS  80           HB3      HIS  80  10.042  -6.565   0.728
    5    HD1  HIS  80           HD1      HIS  80   9.422  -7.051   3.091
    6    HD2  HIS  80           HD2      HIS  80   6.438  -8.251   0.437
    7    HE1  HIS  80           HE1      HIS  80   7.651  -8.226   4.482
    8    HE2  HIS  80           HE2      HIS  80   5.826  -8.962   2.874

  No H/Q in entry =           8
  In of MODEL    6
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL    6
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL    6
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL    6
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL    6
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL    6
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL    6
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL    6
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.104  -6.381 -21.733
    4    HB3  GLU   5           HB3      GLU   5   0.421  -5.148 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.485  -4.499 -21.799
    6    HG3  GLU   5           HG3      GLU   5   2.163  -5.674 -20.527

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL    6
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL    6
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL    6
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.435 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.218  -0.956 -19.650
    6    HG3  MET   9           HG3      MET   9   3.654  -1.705 -19.971
    7    HE1  MET   9           HE1      MET   9   6.538   0.171 -21.144
    8    HE3  MET   9           HE2      MET   9   5.757   0.801 -22.593
    9    HE2  MET   9           HE3      MET   9   6.986  -0.454 -22.737

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.479   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.668   0.276 -14.903
    5   HG13  ILE  12          HG13      ILE  12   4.216  -0.542 -14.949
    6   HG21  ILE  12          HG21      ILE  12   5.630   1.631 -13.088
    7   HG23  ILE  12          HG22      ILE  12   6.269   2.521 -14.471
    8   HG22  ILE  12          HG23      ILE  12   6.294   0.759 -14.469
    9   HD13  ILE  12          HD11      ILE  12   3.276  -1.010 -12.812
   10   HD12  ILE  12          HD12      ILE  12   2.790   0.661 -12.579
   11   HD11  ILE  12          HD13      ILE  12   4.494   0.225 -12.535

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.813 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.822   3.927 -17.794
    5   HG13  ILE  13          HG13      ILE  13   5.626   4.709 -19.359
    6   HG22  ILE  13          HG21      ILE  13   5.834   7.355 -19.070
    7   HG21  ILE  13          HG22      ILE  13   6.387   7.566 -17.409
    8   HG23  ILE  13          HG23      ILE  13   4.752   8.047 -17.861
    9   HD12  ILE  13          HD11      ILE  13   8.036   4.421 -18.238
   10   HD11  ILE  13          HD12      ILE  13   7.568   5.921 -17.440
   11   HD13  ILE  13          HD13      ILE  13   7.633   5.842 -19.199

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL    6
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL    6
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL    6
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL    6
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL    6
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL    6
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL    6
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL    6
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL    6
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL    6
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL    6
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.026  -8.745
    4    HB3  HIS  52           HB3      HIS  52  -7.520   7.698  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.742   6.212  -9.280
    6    HD2  HIS  52           HD2      HIS  52  -6.587   5.094  -6.797
    7    HE1  HIS  52           HE1      HIS  52 -10.728   4.698  -7.512
    8    HE2  HIS  52           HE2      HIS  52  -8.819   4.011  -5.982

  No H/Q in entry =           8
  In of MODEL    6
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL    6
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL    6
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.896   3.591 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.086   3.489 -10.189
    5   HG23  THR  56          HG21      THR  56 -13.821   3.362 -10.853
    6   HG22  THR  56          HG22      THR  56 -12.946   2.775  -9.439
    7   HG21  THR  56          HG23      THR  56 -13.304   1.678 -10.771

  No H/Q in entry =           7
  In of MODEL    6
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.667  -1.969 -10.405
    4   HG12  ILE  59          HG12      ILE  59 -10.926  -4.331  -9.009
    5   HG13  ILE  59          HG13      ILE  59  -9.331  -4.420  -9.739
    6   HG21  ILE  59          HG21      ILE  59 -12.538  -2.643  -9.761
    7   HG23  ILE  59          HG22      ILE  59 -11.929  -1.116 -10.344
    8   HG22  ILE  59          HG23      ILE  59 -11.519  -1.660  -8.725
    9   HD13  ILE  59          HD11      ILE  59  -8.827  -3.796  -7.541
   10   HD12  ILE  59          HD12      ILE  59 -10.241  -2.751  -7.419
   11   HD11  ILE  59          HD13      ILE  59  -8.851  -2.244  -8.378

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL    6
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL    6
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL    6
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL    6
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL    6
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  74           H        LEU  74  -3.311  -7.010 -13.429
    2    HA   LEU  74           HA       LEU  74  -3.946  -4.376 -12.845
    3    HB2  LEU  74           HB2      LEU  74  -5.594  -6.154 -12.893
    4    HB3  LEU  74           HB3      LEU  74  -4.815  -6.971 -11.544
    5    HG   LEU  74           HG       LEU  74  -5.348  -5.030 -10.093
    6   HD13  LEU  74          HD11      LEU  74  -5.486  -3.174 -11.524
    7   HD12  LEU  74          HD12      LEU  74  -7.178  -3.487 -11.143
    8   HD11  LEU  74          HD13      LEU  74  -6.509  -4.019 -12.685
    9   HD21  LEU  74          HD21      LEU  74  -6.946  -7.090 -10.715
   10   HD23  LEU  74          HD22      LEU  74  -7.943  -5.809 -11.382
   11   HD22  LEU  74          HD23      LEU  74  -7.508  -5.782  -9.677

  No H/Q in entry =          11
  In of MODEL    6
    1    H    VAL  75           H        VAL  75  -2.327  -6.765 -10.885
    2    HA   VAL  75           HA       VAL  75  -2.211  -5.224  -8.489
    3    HB   VAL  75           HB       VAL  75  -0.434  -7.496  -9.416
    4   HG13  VAL  75          HG11      VAL  75   0.778  -6.550  -7.668
    5   HG12  VAL  75          HG12      VAL  75  -0.265  -7.662  -6.783
    6   HG11  VAL  75          HG13      VAL  75  -0.667  -5.947  -6.858
    7   HG21  VAL  75          HG21      VAL  75  -2.864  -8.067  -9.243
    8   HG23  VAL  75          HG22      VAL  75  -2.858  -7.491  -7.576
    9   HG22  VAL  75          HG23      VAL  75  -1.896  -8.897  -8.026

  No H/Q in entry =           9
  In of MODEL    6
    1    H    HIS  76           H        HIS  76   0.121  -5.675 -11.275
    2    HA   HIS  76           HA       HIS  76   2.278  -4.214 -10.261
    3    HB2  HIS  76           HB2      HIS  76   2.274  -5.544 -12.395
    4    HB3  HIS  76           HB3      HIS  76   1.387  -4.220 -13.151
    5    HD1  HIS  76           HD1      HIS  76   3.341  -3.528 -14.697
    6    HD2  HIS  76           HD2      HIS  76   4.319  -3.428 -10.646
    7    HE1  HIS  76           HE1      HIS  76   5.561  -2.322 -14.526

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ALA  77           H        ALA  77  -0.569  -3.098 -12.076
    2    HA   ALA  77           HA       ALA  77   0.215  -0.351 -12.085
    3    HB2  ALA  77           HB1      ALA  77  -2.321  -1.851 -12.646
    4    HB1  ALA  77           HB2      ALA  77  -1.368  -0.827 -13.719
    5    HB3  ALA  77           HB3      ALA  77  -2.379  -0.096 -12.474

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLN  78           H        GLN  78  -1.821  -2.330  -9.961
    2    HA   GLN  78           HA       GLN  78  -2.757  -0.201  -8.340
    3    HB2  GLN  78           HB2      GLN  78  -3.644  -2.606  -8.500
    4    HB3  GLN  78           HB3      GLN  78  -2.333  -3.040  -7.404
    5    HG2  GLN  78           HG2      GLN  78  -3.152  -1.402  -5.764
    6    HG3  GLN  78           HG3      GLN  78  -4.462  -0.957  -6.855
    7   HE21  GLN  78          HE21      GLN  78  -5.072  -1.992  -4.284
    8   HE22  GLN  78          HE22      GLN  78  -5.749  -3.538  -4.462

  No H/Q in entry =           8
  In of MODEL    6
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL    6
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.317   0.889 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.965   2.519 -10.292
    5    HD1  HIS  80           HD1      HIS  80   5.418   2.783 -10.619
    6    HD2  HIS  80           HD2      HIS  80   4.386  -1.180  -9.844
    7    HE1  HIS  80           HE1      HIS  80   7.553   1.426 -10.846
    8    HE2  HIS  80           HE2      HIS  80   6.935  -0.994 -10.376

  No H/Q in entry =           8
  In of MODEL    6
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL    6
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL    6
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL    6
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL    6
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL    6
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL    6
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL    6
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL    6
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL    6
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL    6
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL    6
    1    H    PHE   9           H        PHE   9 -21.280   0.630  -3.909
    2    HA   PHE   9           HA       PHE   9 -18.519   1.517  -4.544
    3    HB2  PHE   9           HB2      PHE   9 -20.330   2.433  -2.303
    4    HB3  PHE   9           HB3      PHE   9 -18.622   2.846  -2.441
    5    HD1  PHE   9           HD1      PHE   9 -21.982   3.467  -3.699
    6    HD2  PHE   9           HD2      PHE   9 -17.806   4.201  -4.371
    7    HE1  PHE   9           HE1      PHE   9 -22.558   5.318  -5.243
    8    HE2  PHE   9           HE2      PHE   9 -18.381   6.051  -5.920
    9    HZ   PHE   9           HZ       PHE   9 -20.758   6.610  -6.356

  No H/Q in entry =           9
  In of MODEL    6
    1    H    CYS  10           H        CYS  10 -16.913   0.888  -3.247
    2    HA   CYS  10           HA       CYS  10 -17.185  -0.794  -0.919
    3    HB2  CYS  10           HB2      CYS  10 -16.109  -2.737  -1.712
    4    HB3  CYS  10           HB3      CYS  10 -17.227  -2.330  -3.017

  No H/Q in entry =           4
  In of MODEL    6
    1    H    SER  11           H        SER  11 -14.435  -1.475  -0.412
    2    HA   SER  11           HA       SER  11 -13.491   1.152   0.001
    3    HB2  SER  11           HB2      SER  11 -11.211  -0.170   0.299
    4    HB3  SER  11           HB3      SER  11 -12.487  -0.297   1.491
    5    HG   SER  11           HG       SER  11 -12.847  -2.294   0.899

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  12           H        ALA  12 -12.176  -1.340  -2.320
    2    HA   ALA  12           HA       ALA  12 -10.785   0.899  -3.630
    3    HB2  ALA  12           HB1      ALA  12  -9.909  -1.525  -4.739
    4    HB1  ALA  12           HB2      ALA  12 -10.076  -1.839  -3.012
    5    HB3  ALA  12           HB3      ALA  12  -9.047  -0.522  -3.573

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  13           H        GLY  13 -12.885  -1.884  -4.274
    2    HA3  GLY  13           HA2      GLY  13 -14.710  -1.494  -5.883
    3    HA2  GLY  13           HA3      GLY  13 -13.515  -0.709  -6.909

  No H/Q in entry =           3
  In of MODEL    6
    1    H    MET  14           H        MET  14 -12.683  -3.682  -5.181
    2    HA   MET  14           HA       MET  14 -12.532  -4.984  -7.824
    3    HB2  MET  14           HB2      MET  14 -10.441  -4.736  -6.439
    4    HB3  MET  14           HB3      MET  14 -11.154  -5.867  -5.288
    5    HG2  MET  14           HG2      MET  14 -11.364  -7.559  -7.065
    6    HG3  MET  14           HG3      MET  14 -10.678  -6.430  -8.232
    7    HE1  MET  14           HE1      MET  14  -8.786  -7.800  -9.027
    8    HE3  MET  14           HE2      MET  14  -9.393  -9.165  -8.094
    9    HE2  MET  14           HE3      MET  14  -7.685  -8.744  -8.017

  No H/Q in entry =           9
  In of MODEL    6
    1    H    SER  15           H        SER  15 -12.845  -6.309  -4.553
    2    HA   SER  15           HA       SER  15 -14.091  -8.651  -5.190
    3    HB2  SER  15           HB2      SER  15 -15.119  -7.133  -2.825
    4    HB3  SER  15           HB3      SER  15 -14.749  -8.850  -2.979
    5    HG   SER  15           HG       SER  15 -13.114  -6.713  -2.397

  No H/Q in entry =           5
  In of MODEL    6
    1    H    THR  16           H        THR  16 -15.518  -5.462  -5.463
    2    HA   THR  16           HA       THR  16 -18.198  -6.682  -5.634
    3    HB   THR  16           HB       THR  16 -17.451  -3.764  -5.945
    4    HG1  THR  16           HG1      THR  16 -17.132  -5.141  -3.833
    5   HG21  THR  16          HG21      THR  16 -20.014  -5.311  -5.625
    6   HG23  THR  16          HG22      THR  16 -19.617  -4.057  -6.801
    7   HG22  THR  16          HG23      THR  16 -19.915  -3.625  -5.116

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL    6
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL    6
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL    6
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL    6
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL    6
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL    6
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL    6
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL    6
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL    6
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL    6
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL    6
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL    6
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL    6
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL    6
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL    6
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL    6
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL    6
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL    6
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL    6
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL    6
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL    6
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL    6
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL    6
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL    6
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL    6
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL    7
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.303 -14.308  -2.709
    4    HB3  GLU   5           HB3      GLU   5 -14.709 -13.894  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.800 -12.526  -3.706
    6    HG3  GLU   5           HG3      GLU   5 -14.335 -11.478  -2.366

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL    7
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL    7
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL    7
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.428   1.548
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.706   1.338
    5    HG2  MET   9           HG2      MET   9 -14.293  -6.797  -0.973
    6    HG3  MET   9           HG3      MET   9 -13.791  -8.477  -0.786
    7    HE1  MET   9           HE1      MET   9 -16.351  -5.898  -0.635
    8    HE3  MET   9           HE2      MET   9 -17.338  -6.748   0.549
    9    HE2  MET   9           HE3      MET   9 -17.891  -6.619  -1.113

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.958  -4.314   1.271
    4   HG12  ILE  12          HG12      ILE  12  -9.595  -6.244   0.887
    5   HG13  ILE  12          HG13      ILE  12  -9.574  -5.323  -0.604
    6   HG21  ILE  12          HG21      ILE  12  -8.637  -2.671   0.252
    7   HG23  ILE  12          HG22      ILE  12 -10.191  -2.046   0.806
    8   HG22  ILE  12          HG23      ILE  12 -10.101  -3.049  -0.647
    9   HD11  ILE  12          HD11      ILE  12  -7.375  -4.312   0.301
   10   HD13  ILE  12          HD12      ILE  12  -7.337  -5.977  -0.253
   11   HD12  ILE  12          HD13      ILE  12  -7.423  -5.624   1.467

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.607   5.233
    4   HG12  ILE  13          HG12      ILE  13 -13.496  -3.069   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.927  -3.518   3.578
    6   HG23  ILE  13          HG21      ILE  13 -13.779  -1.895   6.746
    7   HG22  ILE  13          HG22      ILE  13 -15.161  -1.830   5.652
    8   HG21  ILE  13          HG23      ILE  13 -13.849  -0.663   5.485
    9   HD11  ILE  13          HD11      ILE  13 -14.209  -0.616   3.428
   10   HD13  ILE  13          HD12      ILE  13 -15.794  -1.369   3.547
   11   HD12  ILE  13          HD13      ILE  13 -14.931  -1.375   2.011

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL    7
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL    7
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL    7
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL    7
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL    7
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL    7
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL    7
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL    7
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL    7
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL    7
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL    7
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.945  -6.669  10.565
    4    HB3  HIS  52           HB3      HIS  52  -1.111  -7.749  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.196 -10.102  11.735
    6    HD2  HIS  52           HD2      HIS  52   1.313  -7.155   9.007
    7    HE1  HIS  52           HE1      HIS  52   2.421 -10.830  10.767
    8    HE2  HIS  52           HE2      HIS  52   3.116  -9.042   9.102

  No H/Q in entry =           8
  In of MODEL    7
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL    7
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL    7
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.097 -14.214  10.983
    4    HG1  THR  56           HG1      THR  56   1.023 -12.544  10.710
    5   HG22  THR  56          HG21      THR  56   1.853 -14.298  10.485
    6   HG21  THR  56          HG22      THR  56   0.915 -15.710  10.003
    7   HG23  THR  56          HG23      THR  56   0.885 -15.163  11.678

  No H/Q in entry =           7
  In of MODEL    7
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.300 -14.624   4.863
    4   HG12  ILE  59          HG12      ILE  59   2.417 -16.311   3.515
    5   HG13  ILE  59          HG13      ILE  59   1.212 -15.397   2.620
    6   HG23  ILE  59          HG21      ILE  59   1.919 -14.942   6.449
    7   HG22  ILE  59          HG22      ILE  59   2.575 -16.348   5.655
    8   HG21  ILE  59          HG23      ILE  59   1.135 -16.498   6.649
    9   HD13  ILE  59          HD11      ILE  59   3.042 -13.917   2.738
   10   HD12  ILE  59          HD12      ILE  59   3.393 -14.354   4.410
   11   HD11  ILE  59          HD13      ILE  59   1.979 -13.371   4.035

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL    7
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL    7
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL    7
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL    7
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL    7
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  74           H        LEU  74  -4.302 -13.687  -2.343
    2    HA   LEU  74           HA       LEU  74  -3.887 -12.590   0.166
    3    HB2  LEU  74           HB2      LEU  74  -2.991 -14.735  -0.498
    4    HB3  LEU  74           HB3      LEU  74  -1.988 -13.981  -1.732
    5    HG   LEU  74           HG       LEU  74  -0.724 -12.801   0.030
    6   HD12  LEU  74          HD11      LEU  74  -1.145 -13.764   2.410
    7   HD11  LEU  74          HD12      LEU  74  -2.727 -14.222   1.782
    8   HD13  LEU  74          HD13      LEU  74  -2.248 -12.525   1.814
    9   HD23  LEU  74          HD21      LEU  74  -0.780 -15.707   0.841
   10   HD22  LEU  74          HD22      LEU  74   0.601 -14.663   0.556
   11   HD21  LEU  74          HD23      LEU  74  -0.327 -15.278  -0.807

  No H/Q in entry =          11
  In of MODEL    7
    1    H    VAL  75           H        VAL  75  -2.614 -11.619  -2.922
    2    HA   VAL  75           HA       VAL  75  -0.669  -9.790  -1.880
    3    HB   VAL  75           HB       VAL  75  -1.953  -9.908  -4.628
    4   HG11  VAL  75          HG11      VAL  75   0.256  -8.297  -3.423
    5   HG13  VAL  75          HG12      VAL  75  -0.920  -7.844  -4.656
    6   HG12  VAL  75          HG13      VAL  75   0.457  -8.857  -5.082
    7   HG23  VAL  75          HG21      VAL  75   0.711 -11.047  -3.708
    8   HG22  VAL  75          HG22      VAL  75  -0.043 -11.251  -5.288
    9   HG21  VAL  75          HG23      VAL  75  -0.761 -12.005  -3.867

  No H/Q in entry =           9
  In of MODEL    7
    1    H    HIS  76           H        HIS  76  -4.272  -9.371  -3.221
    2    HA   HIS  76           HA       HIS  76  -4.585  -6.594  -3.128
    3    HB2  HIS  76           HB2      HIS  76  -6.319  -8.115  -4.046
    4    HB3  HIS  76           HB3      HIS  76  -6.687  -8.670  -2.419
    5    HD1  HIS  76           HD1      HIS  76  -5.989  -5.094  -2.306
    6    HD2  HIS  76           HD2      HIS  76  -9.352  -7.402  -3.240
    7    HE1  HIS  76           HE1      HIS  76  -7.997  -3.534  -2.187

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ALA  77           H        ALA  77  -4.661  -8.977  -0.573
    2    HA   ALA  77           HA       ALA  77  -5.506  -7.076   1.450
    3    HB3  ALA  77           HB1      ALA  77  -6.222  -9.233   1.966
    4    HB2  ALA  77           HB2      ALA  77  -4.783  -9.072   2.972
    5    HB1  ALA  77           HB3      ALA  77  -4.702  -9.973   1.459

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLN  78           H        GLN  78  -2.471  -8.752   0.557
    2    HA   GLN  78           HA       GLN  78  -0.919  -7.670   2.659
    3    HB2  GLN  78           HB2      GLN  78  -0.346  -9.632   1.127
    4    HB3  GLN  78           HB3      GLN  78   0.123  -8.430  -0.074
    5    HG2  GLN  78           HG2      GLN  78   1.714  -7.454   1.551
    6    HG3  GLN  78           HG3      GLN  78   1.275  -8.699   2.716
    7   HE21  GLN  78          HE21      GLN  78   3.962  -8.513   1.821
    8   HE22  GLN  78          HE22      GLN  78   4.310  -9.859   0.848

  No H/Q in entry =           8
  In of MODEL    7
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL    7
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.175
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.804   2.202
    5    HD1  HIS  80           HD1      HIS  80  -6.700  -0.947   1.174
    6    HD2  HIS  80           HD2      HIS  80  -5.054  -3.460  -1.717
    7    HE1  HIS  80           HE1      HIS  80  -7.582  -0.139  -1.066
    8    HE2  HIS  80           HE2      HIS  80  -6.585  -1.665  -2.838

  No H/Q in entry =           8
  In of MODEL    7
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL    7
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL    7
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL    7
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL    7
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL    7
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL    7
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL    7
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.453 -20.449  -4.426
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.876  -3.437
    5    HG2  GLU   5           HG2      GLU   5   9.910 -21.076  -2.032
    6    HG3  GLU   5           HG3      GLU   5  10.771 -19.623  -1.528

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL    7
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL    7
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL    7
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.038 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.728 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.345 -16.601   2.252
    6    HG3  MET   9           HG3      MET   9  11.576 -17.027   0.555
    7    HE1  MET   9           HE1      MET   9  12.364 -17.557   4.095
    8    HE3  MET   9           HE2      MET   9  13.970 -18.183   3.731
    9    HE2  MET   9           HE3      MET   9  12.721 -19.273   4.327

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.945   2.335
    4   HG12  ILE  12          HG12      ILE  12  10.790 -12.071   0.189
    5   HG13  ILE  12          HG13      ILE  12   9.339 -11.878   1.154
    6   HG21  ILE  12          HG21      ILE  12   9.694  -9.767   3.004
    7   HG23  ILE  12          HG22      ILE  12  10.815 -10.541   4.123
    8   HG22  ILE  12          HG23      ILE  12   9.500 -11.470   3.408
    9   HD11  ILE  12          HD11      ILE  12   9.538  -9.382   0.662
   10   HD13  ILE  12          HD12      ILE  12   9.131 -10.407  -0.703
   11   HD12  ILE  12          HD13      ILE  12  10.777  -9.820  -0.504

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.101 -11.636   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.815 -12.625   4.658
    5   HG13  ILE  13          HG13      ILE  13  15.293 -13.528   4.970
    6   HG23  ILE  13          HG21      ILE  13  17.433 -10.514   5.399
    7   HG22  ILE  13          HG22      ILE  13  16.985 -11.965   6.295
    8   HG21  ILE  13          HG23      ILE  13  16.146 -10.444   6.602
    9   HD11  ILE  13          HD11      ILE  13  14.426 -11.550   7.037
   10   HD13  ILE  13          HD12      ILE  13  15.238 -13.101   7.238
   11   HD12  ILE  13          HD13      ILE  13  13.508 -13.049   6.903

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL    7
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL    7
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL    7
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL    7
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL    7
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL    7
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL    7
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL    7
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL    7
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL    7
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL    7
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.315  -1.676  -5.685
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.655
    5    HD1  HIS  52           HD1      HIS  52  17.394  -2.080  -9.310
    6    HD2  HIS  52           HD2      HIS  52  14.060  -0.881  -7.113
    7    HE1  HIS  52           HE1      HIS  52  15.719  -1.183 -10.983
    8    HE2  HIS  52           HE2      HIS  52  13.681  -0.447  -9.660

  No H/Q in entry =           8
  In of MODEL    7
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL    7
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL    7
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.454 -12.058
    4    HG1  THR  56           HG1      THR  56  16.476  -3.125 -11.712
    5   HG22  THR  56          HG21      THR  56  16.184  -3.488 -13.610
    6   HG21  THR  56          HG22      THR  56  16.336  -5.115 -14.273
    7   HG23  THR  56          HG23      THR  56  17.778  -4.153 -13.960

  No H/Q in entry =           7
  In of MODEL    7
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.791  -7.176 -12.515
    4   HG12  ILE  59          HG12      ILE  59   9.953  -7.007 -14.911
    5   HG13  ILE  59          HG13      ILE  59   9.507  -7.824 -13.421
    6   HG23  ILE  59          HG21      ILE  59  12.606  -5.450 -13.778
    7   HG22  ILE  59          HG22      ILE  59  11.831  -6.009 -15.237
    8   HG21  ILE  59          HG23      ILE  59  13.335  -6.746 -14.710
    9   HD13  ILE  59          HD11      ILE  59   8.658  -5.647 -13.121
   10   HD12  ILE  59          HD12      ILE  59  10.082  -4.902 -13.848
   11   HD11  ILE  59          HD13      ILE  59  10.186  -5.621 -12.241

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL    7
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL    7
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL    7
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL    7
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL    7
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  74           H        LEU  74   7.004 -13.173  -8.610
    2    HA   LEU  74           HA       LEU  74   8.958 -11.254  -8.143
    3    HB2  LEU  74           HB2      LEU  74   8.323 -11.962 -10.366
    4    HB3  LEU  74           HB3      LEU  74   6.689 -11.350 -10.141
    5    HG   LEU  74           HG       LEU  74   7.587  -9.053  -9.967
    6   HD12  LEU  74          HD11      LEU  74  10.043  -8.852 -10.796
    7   HD11  LEU  74          HD12      LEU  74  10.193 -10.537 -10.301
    8   HD13  LEU  74          HD13      LEU  74   9.775  -9.302  -9.114
    9   HD23  LEU  74          HD21      LEU  74   8.765 -10.235 -12.481
   10   HD22  LEU  74          HD22      LEU  74   7.794  -8.788 -12.287
   11   HD21  LEU  74          HD23      LEU  74   7.033 -10.371 -12.190

  No H/Q in entry =          11
  In of MODEL    7
    1    H    VAL  75           H        VAL  75   5.483 -11.029  -7.877
    2    HA   VAL  75           HA       VAL  75   5.365  -8.229  -7.352
    3    HB   VAL  75           HB       VAL  75   3.427 -10.439  -6.600
    4   HG11  VAL  75          HG11      VAL  75   3.344  -7.451  -6.387
    5   HG13  VAL  75          HG12      VAL  75   2.722  -8.667  -5.273
    6   HG12  VAL  75          HG13      VAL  75   1.855  -8.316  -6.767
    7   HG23  VAL  75          HG21      VAL  75   3.361  -8.505  -8.945
    8   HG22  VAL  75          HG22      VAL  75   2.244  -9.834  -8.641
    9   HG21  VAL  75          HG23      VAL  75   3.922 -10.173  -9.057

  No H/Q in entry =           9
  In of MODEL    7
    1    H    HIS  76           H        HIS  76   5.549 -11.173  -5.175
    2    HA   HIS  76           HA       HIS  76   5.259  -9.909  -2.700
    3    HB2  HIS  76           HB2      HIS  76   5.479 -12.426  -3.220
    4    HB3  HIS  76           HB3      HIS  76   7.221 -12.153  -3.129
    5    HD1  HIS  76           HD1      HIS  76   7.878 -13.026  -0.873
    6    HD2  HIS  76           HD2      HIS  76   4.442 -10.672  -0.678
    7    HE1  HIS  76           HE1      HIS  76   7.312 -12.787   1.583

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ALA  77           H        ALA  77   8.182 -10.436  -4.647
    2    HA   ALA  77           HA       ALA  77   9.939  -9.161  -2.788
    3    HB1  ALA  77           HB1      ALA  77  11.073 -10.556  -4.260
    4    HB3  ALA  77           HB2      ALA  77  11.382  -8.974  -4.975
    5    HB2  ALA  77           HB3      ALA  77  10.138 -10.021  -5.657

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLN  78           H        GLN  78   8.173  -8.066  -5.669
    2    HA   GLN  78           HA       GLN  78   9.307  -5.472  -5.770
    3    HB2  GLN  78           HB2      GLN  78   7.954  -6.679  -7.574
    4    HB3  GLN  78           HB3      GLN  78   6.517  -6.207  -6.668
    5    HG2  GLN  78           HG2      GLN  78   7.205  -3.839  -6.835
    6    HG3  GLN  78           HG3      GLN  78   8.610  -4.321  -7.782
    7   HE21  GLN  78          HE21      GLN  78   6.678  -2.573  -8.916
    8   HE22  GLN  78          HE22      GLN  78   5.849  -3.400 -10.145

  No H/Q in entry =           8
  In of MODEL    7
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL    7
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.167  -7.452  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.039  -6.564   0.735
    5    HD1  HIS  80           HD1      HIS  80   9.388  -7.027   3.097
    6    HD2  HIS  80           HD2      HIS  80   6.459  -8.288   0.412
    7    HE1  HIS  80           HE1      HIS  80   7.615  -8.219   4.473
    8    HE2  HIS  80           HE2      HIS  80   5.823  -8.992   2.845

  No H/Q in entry =           8
  In of MODEL    7
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL    7
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL    7
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL    7
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL    7
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL    7
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL    7
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL    7
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.079  -6.375 -21.761
    4    HB3  GLU   5           HB3      GLU   5   0.453  -5.129 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.545  -6.105 -22.266
    6    HG3  GLU   5           HG3      GLU   5   2.454  -4.503 -21.538

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL    7
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL    7
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL    7
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.436 -21.000
    4    HB3  MET   9           HB3      MET   9   4.427   1.169 -20.551
    5    HG2  MET   9           HG2      MET   9   5.222  -0.956 -19.656
    6    HG3  MET   9           HG3      MET   9   3.655  -1.704 -19.964
    7    HE1  MET   9           HE1      MET   9   6.607   0.090 -21.182
    8    HE3  MET   9           HE2      MET   9   5.711   0.830 -22.506
    9    HE2  MET   9           HE3      MET   9   6.909  -0.415 -22.850

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.496   1.700 -15.884
    4   HG12  ILE  12          HG12      ILE  12   2.954   0.054 -15.312
    5   HG13  ILE  12          HG13      ILE  12   4.380  -0.524 -14.477
    6   HG21  ILE  12          HG21      ILE  12   5.602   1.595 -13.068
    7   HG23  ILE  12          HG22      ILE  12   6.266   2.508 -14.424
    8   HG22  ILE  12          HG23      ILE  12   6.286   0.746 -14.453
    9   HD11  ILE  12          HD11      ILE  12   3.482   0.680 -12.424
   10   HD13  ILE  12          HD12      ILE  12   2.554  -0.710 -12.959
   11   HD12  ILE  12          HD13      ILE  12   1.998   0.915 -13.334

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.810 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.825   3.928 -17.795
    5   HG13  ILE  13          HG13      ILE  13   5.632   4.713 -19.360
    6   HG23  ILE  13          HG21      ILE  13   4.722   8.034 -17.946
    7   HG22  ILE  13          HG22      ILE  13   5.912   7.334 -19.044
    8   HG21  ILE  13          HG23      ILE  13   6.326   7.604 -17.352
    9   HD11  ILE  13          HD11      ILE  13   7.572   5.930 -17.439
   10   HD13  ILE  13          HD12      ILE  13   7.640   5.837 -19.198
   11   HD12  ILE  13          HD13      ILE  13   8.035   4.421 -18.225

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL    7
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL    7
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL    7
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL    7
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL    7
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL    7
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL    7
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL    7
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL    7
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL    7
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL    7
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.037  -8.751
    4    HB3  HIS  52           HB3      HIS  52  -7.531   7.692  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.724   6.130  -9.296
    6    HD2  HIS  52           HD2      HIS  52  -6.564   5.156  -6.759
    7    HE1  HIS  52           HE1      HIS  52 -10.684   4.624  -7.508
    8    HE2  HIS  52           HE2      HIS  52  -8.772   4.024  -5.945

  No H/Q in entry =           8
  In of MODEL    7
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL    7
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL    7
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.895   3.591 -12.098
    4    HG1  THR  56           HG1      THR  56 -11.394   3.894  -9.451
    5   HG22  THR  56          HG21      THR  56 -12.955   2.761  -9.439
    6   HG21  THR  56          HG22      THR  56 -13.319   1.684 -10.787
    7   HG23  THR  56          HG23      THR  56 -13.808   3.375 -10.855

  No H/Q in entry =           7
  In of MODEL    7
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.625  -2.016 -10.392
    4   HG12  ILE  59          HG12      ILE  59 -11.052  -4.287  -9.004
    5   HG13  ILE  59          HG13      ILE  59  -9.447  -4.475  -9.691
    6   HG23  ILE  59          HG21      ILE  59 -11.631  -0.896 -10.115
    7   HG22  ILE  59          HG22      ILE  59 -11.651  -1.914  -8.698
    8   HG21  ILE  59          HG23      ILE  59 -12.595  -2.362 -10.110
    9   HD13  ILE  59          HD11      ILE  59  -8.893  -3.830  -7.536
   10   HD12  ILE  59          HD12      ILE  59 -10.319  -2.808  -7.371
   11   HD11  ILE  59          HD13      ILE  59  -8.949  -2.258  -8.335

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL    7
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL    7
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL    7
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL    7
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL    7
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  74           H        LEU  74  -3.308  -7.012 -13.427
    2    HA   LEU  74           HA       LEU  74  -3.949  -4.380 -12.839
    3    HB2  LEU  74           HB2      LEU  74  -5.595  -6.158 -12.884
    4    HB3  LEU  74           HB3      LEU  74  -4.808  -6.981 -11.544
    5    HG   LEU  74           HG       LEU  74  -5.345  -5.070 -10.070
    6   HD12  LEU  74          HD11      LEU  74  -7.127  -3.470 -11.082
    7   HD11  LEU  74          HD12      LEU  74  -6.505  -4.002 -12.643
    8   HD13  LEU  74          HD13      LEU  74  -5.437  -3.191 -11.498
    9   HD23  LEU  74          HD21      LEU  74  -7.927  -5.841 -11.432
   10   HD22  LEU  74          HD22      LEU  74  -7.562  -5.755  -9.718
   11   HD21  LEU  74          HD23      LEU  74  -6.938  -7.090 -10.678

  No H/Q in entry =          11
  In of MODEL    7
    1    H    VAL  75           H        VAL  75  -2.322  -6.768 -10.879
    2    HA   VAL  75           HA       VAL  75  -2.202  -5.222  -8.488
    3    HB   VAL  75           HB       VAL  75  -0.413  -7.483  -9.418
    4   HG11  VAL  75          HG11      VAL  75  -0.647  -5.928  -6.864
    5   HG13  VAL  75          HG12      VAL  75   0.797  -6.541  -7.668
    6   HG12  VAL  75          HG13      VAL  75  -0.252  -7.645  -6.780
    7   HG23  VAL  75          HG21      VAL  75  -2.787  -7.537  -7.517
    8   HG22  VAL  75          HG22      VAL  75  -1.871  -8.924  -8.108
    9   HG21  VAL  75          HG23      VAL  75  -2.880  -7.997  -9.216

  No H/Q in entry =           9
  In of MODEL    7
    1    H    HIS  76           H        HIS  76   0.125  -5.669 -11.279
    2    HA   HIS  76           HA       HIS  76   2.280  -4.197 -10.289
    3    HB2  HIS  76           HB2      HIS  76   2.006  -5.519 -12.532
    4    HB3  HIS  76           HB3      HIS  76   1.492  -3.958 -13.172
    5    HD1  HIS  76           HD1      HIS  76   3.288  -1.954 -12.002
    6    HD2  HIS  76           HD2      HIS  76   4.714  -5.736 -13.018
    7    HE1  HIS  76           HE1      HIS  76   5.795  -1.724 -12.278

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ALA  77           H        ALA  77  -0.577  -3.087 -12.082
    2    HA   ALA  77           HA       ALA  77   0.192  -0.338 -12.083
    3    HB1  ALA  77           HB1      ALA  77  -1.396  -0.827 -13.712
    4    HB2  ALA  77           HB2      ALA  77  -2.394  -0.084 -12.464
    5    HB3  ALA  77           HB3      ALA  77  -2.353  -1.838 -12.628

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLN  78           H        GLN  78  -1.834  -2.327  -9.954
    2    HA   GLN  78           HA       GLN  78  -2.761  -0.198  -8.327
    3    HB2  GLN  78           HB2      GLN  78  -3.670  -2.584  -8.478
    4    HB3  GLN  78           HB3      GLN  78  -2.338  -3.048  -7.419
    5    HG2  GLN  78           HG2      GLN  78  -3.104  -1.387  -5.753
    6    HG3  GLN  78           HG3      GLN  78  -4.462  -0.980  -6.799
    7   HE21  GLN  78          HE21      GLN  78  -4.945  -2.014  -4.195
    8   HE22  GLN  78          HE22      GLN  78  -5.598  -3.574  -4.340

  No H/Q in entry =           8
  In of MODEL    7
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL    7
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.316   0.890 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.966   2.519 -10.292
    5    HD1  HIS  80           HD1      HIS  80   5.425   2.784 -10.592
    6    HD2  HIS  80           HD2      HIS  80   4.378  -1.185  -9.871
    7    HE1  HIS  80           HE1      HIS  80   7.557   1.423 -10.826
    8    HE2  HIS  80           HE2      HIS  80   6.930  -1.000 -10.390

  No H/Q in entry =           8
  In of MODEL    7
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL    7
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL    7
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL    7
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL    7
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL    7
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL    7
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL    7
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL    7
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL    7
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL    7
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL    7
    1    H    PHE   9           H        PHE   9 -21.277   0.629  -3.912
    2    HA   PHE   9           HA       PHE   9 -18.517   1.508  -4.558
    3    HB2  PHE   9           HB2      PHE   9 -20.312   2.417  -2.301
    4    HB3  PHE   9           HB3      PHE   9 -18.603   2.824  -2.445
    5    HD1  PHE   9           HD1      PHE   9 -21.968   3.453  -3.696
    6    HD2  PHE   9           HD2      PHE   9 -17.792   4.199  -4.358
    7    HE1  PHE   9           HE1      PHE   9 -22.545   5.315  -5.227
    8    HE2  PHE   9           HE2      PHE   9 -18.369   6.061  -5.893
    9    HZ   PHE   9           HZ       PHE   9 -20.746   6.619  -6.327

  No H/Q in entry =           9
  In of MODEL    7
    1    H    CYS  10           H        CYS  10 -16.905   0.842  -3.297
    2    HA   CYS  10           HA       CYS  10 -17.215  -0.948  -1.029
    3    HB2  CYS  10           HB2      CYS  10 -16.007  -2.780  -1.894
    4    HB3  CYS  10           HB3      CYS  10 -17.084  -2.338  -3.223

  No H/Q in entry =           4
  In of MODEL    7
    1    H    SER  11           H        SER  11 -14.222  -1.634  -0.878
    2    HA   SER  11           HA       SER  11 -13.504   1.072  -0.128
    3    HB2  SER  11           HB2      SER  11 -12.133  -1.589   0.062
    4    HB3  SER  11           HB3      SER  11 -11.219  -0.115   0.304
    5    HG   SER  11           HG       SER  11 -13.571  -0.023   1.618

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  12           H        ALA  12 -12.082  -1.329  -2.432
    2    HA   ALA  12           HA       ALA  12 -10.697   0.924  -3.725
    3    HB3  ALA  12           HB1      ALA  12  -8.943  -0.469  -3.667
    4    HB2  ALA  12           HB2      ALA  12  -9.788  -1.509  -4.812
    5    HB1  ALA  12           HB3      ALA  12  -9.952  -1.791  -3.080

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  13           H        GLY  13 -12.768  -1.871  -4.382
    2    HA3  GLY  13           HA2      GLY  13 -14.573  -1.460  -6.026
    3    HA2  GLY  13           HA3      GLY  13 -13.338  -0.738  -7.050

  No H/Q in entry =           3
  In of MODEL    7
    1    H    MET  14           H        MET  14 -12.640  -3.718  -5.218
    2    HA   MET  14           HA       MET  14 -12.499  -5.054  -7.845
    3    HB2  MET  14           HB2      MET  14 -10.425  -4.809  -6.371
    4    HB3  MET  14           HB3      MET  14 -11.167  -6.019  -5.323
    5    HG2  MET  14           HG2      MET  14 -11.332  -7.571  -7.242
    6    HG3  MET  14           HG3      MET  14 -10.571  -6.366  -8.278
    7    HE2  MET  14           HE1      MET  14  -7.656  -8.142  -8.544
    8    HE1  MET  14           HE2      MET  14  -9.370  -8.196  -8.942
    9    HE3  MET  14           HE3      MET  14  -8.684  -9.412  -7.869

  No H/Q in entry =           9
  In of MODEL    7
    1    H    SER  15           H        SER  15 -12.825  -6.349  -4.570
    2    HA   SER  15           HA       SER  15 -14.105  -8.671  -5.182
    3    HB2  SER  15           HB2      SER  15 -15.128  -7.139  -2.827
    4    HB3  SER  15           HB3      SER  15 -14.742  -8.854  -2.969
    5    HG   SER  15           HG       SER  15 -12.663  -8.423  -2.709

  No H/Q in entry =           5
  In of MODEL    7
    1    H    THR  16           H        THR  16 -15.514  -5.467  -5.463
    2    HA   THR  16           HA       THR  16 -18.200  -6.674  -5.634
    3    HB   THR  16           HB       THR  16 -17.440  -3.760  -5.946
    4    HG1  THR  16           HG1      THR  16 -16.854  -4.549  -3.897
    5   HG23  THR  16          HG21      THR  16 -19.607  -4.046  -6.803
    6   HG22  THR  16          HG22      THR  16 -19.903  -3.608  -5.119
    7   HG21  THR  16          HG23      THR  16 -20.010  -5.295  -5.623

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL    7
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL    7
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL    7
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL    7
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL    7
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL    7
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL    7
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL    7
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL    7
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL    7
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL    7
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL    7
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL    7
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL    7
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL    7
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL    7
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL    7
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL    7
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL    7
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL    7
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL    7
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL    7
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL    7
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL    7
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL    7
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL    8
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.286 -14.281  -2.731
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.931  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.575 -11.559  -2.348
    6    HG3  GLU   5           HG3      GLU   5 -13.140 -11.873  -3.322

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL    8
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL    8
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL    8
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.711  -8.424   1.553
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.703   1.332
    5    HG2  MET   9           HG2      MET   9 -14.271  -6.814  -0.978
    6    HG3  MET   9           HG3      MET   9 -13.804  -8.502  -0.777
    7    HE2  MET   9           HE1      MET   9 -17.811  -6.516  -1.144
    8    HE1  MET   9           HE2      MET   9 -16.302  -5.897  -0.483
    9    HE3  MET   9           HE3      MET   9 -17.411  -6.780   0.555

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.937  -4.410   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.196  -6.154   0.945
    5   HG13  ILE  12          HG13      ILE  12  -9.675  -5.402  -0.564
    6   HG23  ILE  12          HG21      ILE  12 -10.310  -2.957  -0.570
    7   HG22  ILE  12          HG22      ILE  12  -8.781  -2.570   0.223
    8   HG21  ILE  12          HG23      ILE  12 -10.313  -2.068   0.947
    9   HD12  ILE  12          HD11      ILE  12  -7.140  -4.938   1.016
   10   HD11  ILE  12          HD12      ILE  12  -7.652  -3.897  -0.300
   11   HD13  ILE  12          HD13      ILE  12  -7.310  -5.595  -0.603

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.494  -3.068   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.924  -3.522   3.577
    6   HG22  ILE  13          HG21      ILE  13 -15.150  -1.912   5.740
    7   HG21  ILE  13          HG22      ILE  13 -13.948  -0.664   5.409
    8   HG23  ILE  13          HG23      ILE  13 -13.692  -1.807   6.728
    9   HD13  ILE  13          HD11      ILE  13 -15.798  -1.370   3.545
   10   HD12  ILE  13          HD12      ILE  13 -14.934  -1.377   2.013
   11   HD11  ILE  13          HD13      ILE  13 -14.208  -0.621   3.429

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL    8
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL    8
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL    8
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL    8
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL    8
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL    8
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL    8
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL    8
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL    8
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL    8
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL    8
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.935  -6.673  10.552
    4    HB3  HIS  52           HB3      HIS  52  -1.119  -7.735  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.226 -10.043  11.850
    6    HD2  HIS  52           HD2      HIS  52   1.277  -7.251   8.939
    7    HE1  HIS  52           HE1      HIS  52   2.439 -10.812  10.887
    8    HE2  HIS  52           HE2      HIS  52   3.094  -9.119   9.111

  No H/Q in entry =           8
  In of MODEL    8
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL    8
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL    8
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.097 -14.216  10.983
    4    HG1  THR  56           HG1      THR  56   0.307 -12.190   9.726
    5   HG22  THR  56          HG21      THR  56   1.854 -14.298  10.475
    6   HG21  THR  56          HG22      THR  56   0.912 -15.713  10.009
    7   HG23  THR  56          HG23      THR  56   0.892 -15.154  11.680

  No H/Q in entry =           7
  In of MODEL    8
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.912
    4   HG12  ILE  59          HG12      ILE  59   2.367 -16.264   3.425
    5   HG13  ILE  59          HG13      ILE  59   1.137 -15.307   2.616
    6   HG21  ILE  59          HG21      ILE  59   1.117 -16.023   6.798
    7   HG23  ILE  59          HG22      ILE  59   2.386 -15.062   6.086
    8   HG22  ILE  59          HG23      ILE  59   2.286 -16.779   5.732
    9   HD12  ILE  59          HD11      ILE  59   3.371 -14.345   4.393
   10   HD11  ILE  59          HD12      ILE  59   1.959 -13.341   4.063
   11   HD13  ILE  59          HD13      ILE  59   3.002 -13.858   2.739

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL    8
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL    8
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL    8
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL    8
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL    8
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  74           H        LEU  74  -4.198 -13.633  -2.389
    2    HA   LEU  74           HA       LEU  74  -3.787 -12.460   0.112
    3    HB2  LEU  74           HB2      LEU  74  -2.867 -14.618  -0.570
    4    HB3  LEU  74           HB3      LEU  74  -1.850 -13.828  -1.768
    5    HG   LEU  74           HG       LEU  74  -0.690 -12.612   0.056
    6   HD12  LEU  74          HD11      LEU  74  -1.123 -13.677   2.394
    7   HD11  LEU  74          HD12      LEU  74  -2.669 -14.175   1.710
    8   HD13  LEU  74          HD13      LEU  74  -2.260 -12.462   1.812
    9   HD22  LEU  74          HD21      LEU  74   0.722 -14.425   0.556
   10   HD21  LEU  74          HD22      LEU  74  -0.149 -15.043  -0.836
   11   HD23  LEU  74          HD23      LEU  74  -0.632 -15.530   0.784

  No H/Q in entry =          11
  In of MODEL    8
    1    H    VAL  75           H        VAL  75  -2.695 -11.549  -3.045
    2    HA   VAL  75           HA       VAL  75  -0.714  -9.656  -2.233
    3    HB   VAL  75           HB       VAL  75  -2.241 -10.063  -4.815
    4   HG13  VAL  75          HG11      VAL  75  -1.709  -7.709  -4.711
    5   HG12  VAL  75          HG12      VAL  75  -0.545  -8.473  -5.793
    6   HG11  VAL  75          HG13      VAL  75  -0.075  -8.053  -4.147
    7   HG22  VAL  75          HG21      VAL  75  -0.103 -10.935  -5.624
    8   HG21  VAL  75          HG22      VAL  75  -0.529 -11.774  -4.133
    9   HG23  VAL  75          HG23      VAL  75   0.683 -10.495  -4.108

  No H/Q in entry =           9
  In of MODEL    8
    1    H    HIS  76           H        HIS  76  -4.405  -9.252  -3.353
    2    HA   HIS  76           HA       HIS  76  -4.719  -6.480  -3.163
    3    HB2  HIS  76           HB2      HIS  76  -6.468  -8.065  -4.036
    4    HB3  HIS  76           HB3      HIS  76  -6.822  -8.524  -2.376
    5    HD1  HIS  76           HD1      HIS  76  -6.031  -4.918  -2.822
    6    HD2  HIS  76           HD2      HIS  76  -9.482  -7.285  -2.871
    7    HE1  HIS  76           HE1      HIS  76  -8.009  -3.323  -2.663

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ALA  77           H        ALA  77  -4.717  -8.945  -0.651
    2    HA   ALA  77           HA       ALA  77  -5.507  -7.095   1.435
    3    HB3  ALA  77           HB1      ALA  77  -4.625  -9.972   1.386
    4    HB2  ALA  77           HB2      ALA  77  -6.181  -9.300   1.870
    5    HB1  ALA  77           HB3      ALA  77  -4.773  -9.097   2.912

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLN  78           H        GLN  78  -2.469  -8.801   0.541
    2    HA   GLN  78           HA       GLN  78  -0.906  -7.726   2.611
    3    HB2  GLN  78           HB2      GLN  78  -0.352  -9.648   1.003
    4    HB3  GLN  78           HB3      GLN  78   0.149  -8.399  -0.136
    5    HG2  GLN  78           HG2      GLN  78   1.716  -7.510   1.572
    6    HG3  GLN  78           HG3      GLN  78   1.257  -8.823   2.652
    7   HE21  GLN  78          HE21      GLN  78   1.177  -9.936  -0.553
    8   HE22  GLN  78          HE22      GLN  78   2.716 -10.651  -0.599

  No H/Q in entry =           8
  In of MODEL    8
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL    8
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.201   1.170
    4    HB3  HIS  80           HB3      HIS  80  -5.388  -2.808   2.204
    5    HD1  HIS  80           HD1      HIS  80  -6.706  -0.951   1.188
    6    HD2  HIS  80           HD2      HIS  80  -5.052  -3.440  -1.719
    7    HE1  HIS  80           HE1      HIS  80  -7.589  -0.130  -1.047
    8    HE2  HIS  80           HE2      HIS  80  -6.587  -1.642  -2.828

  No H/Q in entry =           8
  In of MODEL    8
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL    8
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL    8
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL    8
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL    8
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL    8
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL    8
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL    8
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.421 -20.431  -4.407
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.477
    5    HG2  GLU   5           HG2      GLU   5  10.903 -19.846  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.487 -19.333  -2.386

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL    8
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL    8
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL    8
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.038 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.728 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.342 -16.598   2.246
    6    HG3  MET   9           HG3      MET   9  11.580 -17.033   0.553
    7    HE2  MET   9           HE1      MET   9  12.580 -19.188   4.370
    8    HE1  MET   9           HE2      MET   9  12.486 -17.459   4.045
    9    HE3  MET   9           HE3      MET   9  13.995 -18.323   3.756

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.953   2.307
    4   HG12  ILE  12          HG12      ILE  12  10.844 -11.553  -0.015
    5   HG13  ILE  12          HG13      ILE  12   9.636 -12.255   1.043
    6   HG22  ILE  12          HG21      ILE  12   9.519 -11.479   3.431
    7   HG21  ILE  12          HG22      ILE  12   9.735  -9.766   3.071
    8   HG23  ILE  12          HG23      ILE  12  10.868 -10.594   4.138
    9   HD12  ILE  12          HD11      ILE  12   9.840  -9.404   0.076
   10   HD11  ILE  12          HD12      ILE  12   8.805  -9.875   1.412
   11   HD13  ILE  12          HD13      ILE  12   8.541 -10.558  -0.187

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.104 -11.634   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.816 -12.626   4.649
    5   HG13  ILE  13          HG13      ILE  13  15.294 -13.528   4.965
    6   HG21  ILE  13          HG21      ILE  13  16.099 -10.672   6.718
    7   HG23  ILE  13          HG22      ILE  13  17.294 -10.313   5.472
    8   HG22  ILE  13          HG23      ILE  13  17.160 -11.948   6.120
    9   HD13  ILE  13          HD11      ILE  13  15.230 -13.103   7.238
   10   HD12  ILE  13          HD12      ILE  13  13.502 -13.053   6.893
   11   HD11  ILE  13          HD13      ILE  13  14.417 -11.552   7.027

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL    8
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL    8
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL    8
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL    8
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL    8
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL    8
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL    8
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL    8
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL    8
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL    8
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL    8
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.300  -1.676  -5.693
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.639
    5    HD1  HIS  52           HD1      HIS  52  17.477  -1.983  -9.287
    6    HD2  HIS  52           HD2      HIS  52  14.029  -0.982  -7.169
    7    HE1  HIS  52           HE1      HIS  52  15.818  -1.114 -10.990
    8    HE2  HIS  52           HE2      HIS  52  13.711  -0.497  -9.715

  No H/Q in entry =           8
  In of MODEL    8
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL    8
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL    8
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.454 -12.059
    4    HG1  THR  56           HG1      THR  56  15.836  -3.909 -10.928
    5   HG22  THR  56          HG21      THR  56  16.173  -3.495 -13.611
    6   HG21  THR  56          HG22      THR  56  16.347  -5.119 -14.275
    7   HG23  THR  56          HG23      THR  56  17.777  -4.141 -13.955

  No H/Q in entry =           7
  In of MODEL    8
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.838  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.886  -7.057 -14.837
    5   HG13  ILE  59          HG13      ILE  59   9.522  -7.838 -13.306
    6   HG21  ILE  59          HG21      ILE  59  13.405  -6.458 -14.317
    7   HG23  ILE  59          HG22      ILE  59  12.110  -5.313 -14.085
    8   HG22  ILE  59          HG23      ILE  59  12.074  -6.406 -15.459
    9   HD12  ILE  59          HD11      ILE  59  10.077  -4.923 -13.818
   10   HD11  ILE  59          HD12      ILE  59  10.205  -5.616 -12.201
   11   HD13  ILE  59          HD13      ILE  59   8.663  -5.648 -13.054

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL    8
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL    8
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL    8
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL    8
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL    8
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  74           H        LEU  74   6.932 -13.098  -8.614
    2    HA   LEU  74           HA       LEU  74   8.861 -11.143  -8.088
    3    HB2  LEU  74           HB2      LEU  74   8.186 -11.840 -10.330
    4    HB3  LEU  74           HB3      LEU  74   6.574 -11.182 -10.072
    5    HG   LEU  74           HG       LEU  74   7.568  -8.921  -9.823
    6   HD12  LEU  74          HD11      LEU  74  10.004  -8.798 -10.736
    7   HD11  LEU  74          HD12      LEU  74  10.094 -10.500 -10.289
    8   HD13  LEU  74          HD13      LEU  74   9.770  -9.281  -9.057
    9   HD22  LEU  74          HD21      LEU  74   7.703  -8.574 -12.146
   10   HD21  LEU  74          HD22      LEU  74   6.891 -10.128 -12.078
   11   HD23  LEU  74          HD23      LEU  74   8.619 -10.056 -12.403

  No H/Q in entry =          11
  In of MODEL    8
    1    H    VAL  75           H        VAL  75   5.403 -11.117  -7.717
    2    HA   VAL  75           HA       VAL  75   5.062  -8.349  -7.170
    3    HB   VAL  75           HB       VAL  75   3.420 -10.796  -6.486
    4   HG13  VAL  75          HG11      VAL  75   2.994  -9.168  -4.735
    5   HG12  VAL  75          HG12      VAL  75   1.624  -9.162  -5.846
    6   HG11  VAL  75          HG13      VAL  75   2.827  -7.876  -5.924
    7   HG22  VAL  75          HG21      VAL  75   1.930  -9.931  -8.223
    8   HG21  VAL  75          HG22      VAL  75   3.562 -10.041  -8.880
    9   HG23  VAL  75          HG23      VAL  75   2.916  -8.478  -8.385

  No H/Q in entry =           9
  In of MODEL    8
    1    H    HIS  76           H        HIS  76   5.560 -11.244  -4.964
    2    HA   HIS  76           HA       HIS  76   5.349  -9.902  -2.509
    3    HB2  HIS  76           HB2      HIS  76   5.561 -12.433  -2.955
    4    HB3  HIS  76           HB3      HIS  76   7.303 -12.148  -2.963
    5    HD1  HIS  76           HD1      HIS  76   7.951 -13.113  -0.714
    6    HD2  HIS  76           HD2      HIS  76   4.773 -10.430  -0.424
    7    HE1  HIS  76           HE1      HIS  76   7.543 -12.750   1.758

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ALA  77           H        ALA  77   8.185 -10.450  -4.595
    2    HA   ALA  77           HA       ALA  77  10.017  -9.140  -2.843
    3    HB2  ALA  77           HB1      ALA  77  10.087  -9.965  -5.734
    4    HB1  ALA  77           HB2      ALA  77  11.036 -10.580  -4.381
    5    HB3  ALA  77           HB3      ALA  77  11.389  -8.988  -5.052

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLN  78           H        GLN  78   8.155  -8.075  -5.681
    2    HA   GLN  78           HA       GLN  78   9.267  -5.476  -5.821
    3    HB2  GLN  78           HB2      GLN  78   7.852  -6.736  -7.567
    4    HB3  GLN  78           HB3      GLN  78   6.453  -6.185  -6.646
    5    HG2  GLN  78           HG2      GLN  78   7.236  -3.846  -6.900
    6    HG3  GLN  78           HG3      GLN  78   8.581  -4.419  -7.884
    7   HE21  GLN  78          HE21      GLN  78   5.884  -6.389  -8.448
    8   HE22  GLN  78          HE22      GLN  78   5.311  -5.624  -9.851

  No H/Q in entry =           8
  In of MODEL    8
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL    8
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.166  -7.453  -0.516
    4    HB3  HIS  80           HB3      HIS  80  10.040  -6.565   0.733
    5    HD1  HIS  80           HD1      HIS  80   9.406  -7.052   3.093
    6    HD2  HIS  80           HD2      HIS  80   6.443  -8.261   0.420
    7    HE1  HIS  80           HE1      HIS  80   7.631  -8.235   4.472
    8    HE2  HIS  80           HE2      HIS  80   5.819  -8.976   2.852

  No H/Q in entry =           8
  In of MODEL    8
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL    8
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL    8
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL    8
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL    8
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL    8
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL    8
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL    8
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.105  -6.382 -21.732
    4    HB3  GLU   5           HB3      GLU   5   0.420  -5.149 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.482  -4.494 -21.793
    6    HG3  GLU   5           HG3      GLU   5   2.166  -5.681 -20.531

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL    8
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL    8
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL    8
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.436 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.219  -0.957 -19.652
    6    HG3  MET   9           HG3      MET   9   3.653  -1.705 -19.970
    7    HE2  MET   9           HE1      MET   9   6.993  -0.458 -22.711
    8    HE1  MET   9           HE2      MET   9   6.503   0.207 -21.155
    9    HE3  MET   9           HE3      MET   9   5.744   0.791 -22.634

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.471   1.684 -15.888
    4   HG12  ILE  12          HG12      ILE  12   2.668   0.275 -14.878
    5   HG13  ILE  12          HG13      ILE  12   4.216  -0.542 -14.945
    6   HG22  ILE  12          HG21      ILE  12   6.299   0.764 -14.475
    7   HG21  ILE  12          HG22      ILE  12   5.648   1.653 -13.098
    8   HG23  ILE  12          HG23      ILE  12   6.266   2.526 -14.499
    9   HD12  ILE  12          HD11      ILE  12   2.847   0.659 -12.540
   10   HD11  ILE  12          HD12      ILE  12   4.541   0.199 -12.533
   11   HD13  ILE  12          HD13      ILE  12   3.300  -1.015 -12.817

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.809 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.821   3.926 -17.800
    5   HG13  ILE  13          HG13      ILE  13   5.637   4.719 -19.362
    6   HG23  ILE  13          HG21      ILE  13   4.696   8.006 -18.093
    7   HG22  ILE  13          HG22      ILE  13   6.045   7.301 -18.983
    8   HG21  ILE  13          HG23      ILE  13   6.216   7.665 -17.266
    9   HD13  ILE  13          HD11      ILE  13   7.654   5.834 -19.185
   10   HD12  ILE  13          HD12      ILE  13   8.033   4.417 -18.207
   11   HD11  ILE  13          HD13      ILE  13   7.564   5.927 -17.427

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL    8
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL    8
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL    8
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL    8
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL    8
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL    8
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL    8
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL    8
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL    8
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL    8
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL    8
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.023  -8.743
    4    HB3  HIS  52           HB3      HIS  52  -7.517   7.700  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.750   6.252  -9.262
    6    HD2  HIS  52           HD2      HIS  52  -6.590   5.060  -6.820
    7    HE1  HIS  52           HE1      HIS  52 -10.742   4.731  -7.503
    8    HE2  HIS  52           HE2      HIS  52  -8.830   3.999  -5.998

  No H/Q in entry =           8
  In of MODEL    8
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL    8
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL    8
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.894   3.592 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.298   3.337  -9.864
    5   HG22  THR  56          HG21      THR  56 -12.955   2.755  -9.440
    6   HG21  THR  56          HG22      THR  56 -13.322   1.686 -10.794
    7   HG23  THR  56          HG23      THR  56 -13.807   3.379 -10.852

  No H/Q in entry =           7
  In of MODEL    8
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.666  -1.970 -10.405
    4   HG12  ILE  59          HG12      ILE  59 -10.923  -4.352  -9.035
    5   HG13  ILE  59          HG13      ILE  59  -9.309  -4.401  -9.726
    6   HG23  ILE  59          HG21      ILE  59 -11.945  -1.133 -10.339
    7   HG22  ILE  59          HG22      ILE  59 -11.484  -1.644  -8.736
    8   HG21  ILE  59          HG23      ILE  59 -12.542  -2.656  -9.705
    9   HD12  ILE  59          HD11      ILE  59 -10.309  -2.746  -7.427
   10   HD11  ILE  59          HD12      ILE  59  -8.885  -2.246  -8.338
   11   HD13  ILE  59          HD13      ILE  59  -8.893  -3.796  -7.497

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL    8
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL    8
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL    8
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL    8
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL    8
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  74           H        LEU  74  -3.291  -7.035 -13.318
    2    HA   LEU  74           HA       LEU  74  -3.876  -4.378 -12.696
    3    HB2  LEU  74           HB2      LEU  74  -5.521  -6.192 -12.709
    4    HB3  LEU  74           HB3      LEU  74  -4.720  -6.956 -11.342
    5    HG   LEU  74           HG       LEU  74  -5.229  -4.960  -9.959
    6   HD12  LEU  74          HD11      LEU  74  -7.062  -3.450 -11.022
    7   HD11  LEU  74          HD12      LEU  74  -6.458  -4.058 -12.561
    8   HD13  LEU  74          HD13      LEU  74  -5.385  -3.166 -11.483
    9   HD22  LEU  74          HD21      LEU  74  -7.426  -5.662  -9.502
   10   HD21  LEU  74          HD22      LEU  74  -6.816  -7.031 -10.416
   11   HD23  LEU  74          HD23      LEU  74  -7.824  -5.829 -11.211

  No H/Q in entry =          11
  In of MODEL    8
    1    H    VAL  75           H        VAL  75  -2.155  -6.816 -10.913
    2    HA   VAL  75           HA       VAL  75  -1.886  -5.431  -8.448
    3    HB   VAL  75           HB       VAL  75  -0.270  -7.639  -9.729
    4   HG13  VAL  75          HG11      VAL  75   1.254  -6.380  -8.309
    5   HG12  VAL  75          HG12      VAL  75   0.812  -7.871  -7.478
    6   HG11  VAL  75          HG13      VAL  75   0.066  -6.345  -7.007
    7   HG22  VAL  75          HG21      VAL  75  -1.361  -9.023  -8.023
    8   HG21  VAL  75          HG22      VAL  75  -2.596  -8.139  -8.918
    9   HG23  VAL  75          HG23      VAL  75  -2.112  -7.595  -7.313

  No H/Q in entry =           9
  In of MODEL    8
    1    H    HIS  76           H        HIS  76   0.292  -5.625 -11.393
    2    HA   HIS  76           HA       HIS  76   2.415  -4.083 -10.418
    3    HB2  HIS  76           HB2      HIS  76   2.121  -5.365 -12.692
    4    HB3  HIS  76           HB3      HIS  76   1.544  -3.801 -13.271
    5    HD1  HIS  76           HD1      HIS  76   3.798  -2.923 -10.718
    6    HD2  HIS  76           HD2      HIS  76   4.331  -4.340 -14.601
    7    HE1  HIS  76           HE1      HIS  76   6.159  -2.302 -11.389

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ALA  77           H        ALA  77  -0.539  -3.064 -12.121
    2    HA   ALA  77           HA       ALA  77   0.116  -0.292 -12.098
    3    HB3  ALA  77           HB1      ALA  77  -2.406  -1.865 -12.561
    4    HB1  ALA  77           HB2      ALA  77  -1.486  -0.884 -13.700
    5    HB2  ALA  77           HB3      ALA  77  -2.463  -0.105 -12.456

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLN  78           H        GLN  78  -1.840  -2.351  -9.955
    2    HA   GLN  78           HA       GLN  78  -2.790  -0.254  -8.309
    3    HB2  GLN  78           HB2      GLN  78  -3.613  -2.688  -8.475
    4    HB3  GLN  78           HB3      GLN  78  -2.295  -3.078  -7.371
    5    HG2  GLN  78           HG2      GLN  78  -3.173  -1.398  -5.771
    6    HG3  GLN  78           HG3      GLN  78  -4.527  -1.096  -6.858
    7   HE21  GLN  78          HE21      GLN  78  -3.657  -4.363  -7.064
    8   HE22  GLN  78          HE22      GLN  78  -4.798  -4.990  -5.975

  No H/Q in entry =           8
  In of MODEL    8
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL    8
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.321   0.884 -10.473
    4    HB3  HIS  80           HB3      HIS  80   2.959   2.518 -10.294
    5    HD1  HIS  80           HD1      HIS  80   5.410   2.796 -10.625
    6    HD2  HIS  80           HD2      HIS  80   4.403  -1.171  -9.835
    7    HE1  HIS  80           HE1      HIS  80   7.553   1.452 -10.849
    8    HE2  HIS  80           HE2      HIS  80   6.951  -0.970 -10.370

  No H/Q in entry =           8
  In of MODEL    8
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL    8
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL    8
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL    8
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL    8
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL    8
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL    8
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL    8
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL    8
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL    8
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL    8
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL    8
    1    H    PHE   9           H        PHE   9 -21.298   0.642  -3.917
    2    HA   PHE   9           HA       PHE   9 -18.533   1.534  -4.522
    3    HB2  PHE   9           HB2      PHE   9 -20.378   2.457  -2.311
    4    HB3  PHE   9           HB3      PHE   9 -18.669   2.873  -2.425
    5    HD1  PHE   9           HD1      PHE   9 -22.006   3.575  -3.626
    6    HD2  PHE   9           HD2      PHE   9 -17.831   4.123  -4.462
    7    HE1  PHE   9           HE1      PHE   9 -22.563   5.417  -5.190
    8    HE2  PHE   9           HE2      PHE   9 -18.387   5.965  -6.029
    9    HZ   PHE   9           HZ       PHE   9 -20.753   6.611  -6.392

  No H/Q in entry =           9
  In of MODEL    8
    1    H    CYS  10           H        CYS  10 -16.943   0.899  -3.229
    2    HA   CYS  10           HA       CYS  10 -17.217  -0.724  -0.864
    3    HB2  CYS  10           HB2      CYS  10 -16.135  -2.698  -1.622
    4    HB3  CYS  10           HB3      CYS  10 -17.336  -2.343  -2.867

  No H/Q in entry =           4
  In of MODEL    8
    1    H    SER  11           H        SER  11 -14.375  -1.524  -0.560
    2    HA   SER  11           HA       SER  11 -13.464   1.142  -0.127
    3    HB2  SER  11           HB2      SER  11 -12.200  -1.560   0.179
    4    HB3  SER  11           HB3      SER  11 -11.216  -0.118   0.317
    5    HG   SER  11           HG       SER  11 -13.230   0.477   1.741

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  12           H        ALA  12 -12.157  -1.416  -2.385
    2    HA   ALA  12           HA       ALA  12 -10.740   0.792  -3.731
    3    HB2  ALA  12           HB1      ALA  12  -9.715  -1.633  -4.667
    4    HB1  ALA  12           HB2      ALA  12  -9.983  -1.899  -2.945
    5    HB3  ALA  12           HB3      ALA  12  -8.965  -0.564  -3.482

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  13           H        GLY  13 -13.260  -1.490  -4.105
    2    HA3  GLY  13           HA2      GLY  13 -14.816  -1.416  -5.862
    3    HA2  GLY  13           HA3      GLY  13 -13.608  -0.628  -6.870

  No H/Q in entry =           3
  In of MODEL    8
    1    H    MET  14           H        MET  14 -12.689  -3.548  -5.117
    2    HA   MET  14           HA       MET  14 -12.477  -4.871  -7.737
    3    HB2  MET  14           HB2      MET  14 -10.456  -4.596  -6.228
    4    HB3  MET  14           HB3      MET  14 -11.205  -5.785  -5.161
    5    HG2  MET  14           HG2      MET  14 -11.441  -7.189  -7.379
    6    HG3  MET  14           HG3      MET  14 -10.139  -6.145  -7.945
    7    HE3  MET  14           HE1      MET  14  -7.096  -7.667  -6.735
    8    HE2  MET  14           HE2      MET  14  -7.762  -6.063  -7.028
    9    HE1  MET  14           HE3      MET  14  -8.114  -7.374  -8.150

  No H/Q in entry =           9
  In of MODEL    8
    1    H    SER  15           H        SER  15 -12.838  -6.279  -4.513
    2    HA   SER  15           HA       SER  15 -14.059  -8.602  -5.228
    3    HB2  SER  15           HB2      SER  15 -13.439  -7.751  -2.872
    4    HB3  SER  15           HB3      SER  15 -15.090  -7.132  -2.824
    5    HG   SER  15           HG       SER  15 -14.266  -9.804  -3.332

  No H/Q in entry =           5
  In of MODEL    8
    1    H    THR  16           H        THR  16 -15.514  -5.437  -5.453
    2    HA   THR  16           HA       THR  16 -18.190  -6.661  -5.627
    3    HB   THR  16           HB       THR  16 -17.441  -3.744  -5.946
    4    HG1  THR  16           HG1      THR  16 -18.191  -3.656  -3.740
    5   HG22  THR  16          HG21      THR  16 -19.904  -3.593  -5.128
    6   HG21  THR  16          HG22      THR  16 -20.008  -5.284  -5.623
    7   HG23  THR  16          HG23      THR  16 -19.605  -4.041  -6.809

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL    8
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL    8
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL    8
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL    8
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL    8
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL    8
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL    8
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL    8
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL    8
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL    8
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL    8
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL    8
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL    8
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.796
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL    8
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL    8
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL    8
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL    8
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL    8
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL    8
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL    8
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL    8
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL    8
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL    8
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL    8
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL    8
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL    9
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.283 -14.274  -2.736
    4    HB3  GLU   5           HB3      GLU   5 -14.690 -13.939  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.589 -11.563  -2.336
    6    HG3  GLU   5           HG3      GLU   5 -13.154 -11.862  -3.315

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL    9
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL    9
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL    9
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.428   1.548
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.706   1.338
    5    HG2  MET   9           HG2      MET   9 -14.273  -6.802  -0.974
    6    HG3  MET   9           HG3      MET   9 -13.806  -8.491  -0.783
    7    HE2  MET   9           HE1      MET   9 -17.784  -6.480  -1.162
    8    HE1  MET   9           HE2      MET   9 -16.294  -5.896  -0.428
    9    HE3  MET   9           HE3      MET   9 -17.451  -6.793   0.544

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.948  -4.365   1.273
    4   HG12  ILE  12          HG12      ILE  12  -9.310  -6.192   0.968
    5   HG13  ILE  12          HG13      ILE  12  -9.695  -5.417  -0.556
    6   HG21  ILE  12          HG21      ILE  12  -8.714  -2.590   0.283
    7   HG23  ILE  12          HG22      ILE  12 -10.299  -2.058   0.845
    8   HG22  ILE  12          HG23      ILE  12 -10.153  -3.027  -0.626
    9   HD13  ILE  12          HD11      ILE  12  -7.321  -5.727  -0.524
   10   HD12  ILE  12          HD12      ILE  12  -7.202  -5.127   1.121
   11   HD11  ILE  12          HD13      ILE  12  -7.601  -4.026  -0.190

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.608   5.231
    4   HG12  ILE  13          HG12      ILE  13 -13.496  -3.056   2.663
    5   HG13  ILE  13          HG13      ILE  13 -14.923  -3.521   3.575
    6   HG22  ILE  13          HG21      ILE  13 -15.148  -1.915   5.746
    7   HG21  ILE  13          HG22      ILE  13 -13.947  -0.666   5.415
    8   HG23  ILE  13          HG23      ILE  13 -13.688  -1.812   6.731
    9   HD13  ILE  13          HD11      ILE  13 -15.806  -1.373   3.553
   10   HD12  ILE  13          HD12      ILE  13 -14.939  -1.365   2.023
   11   HD11  ILE  13          HD13      ILE  13 -14.218  -0.616   3.445

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL    9
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL    9
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL    9
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL    9
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL    9
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL    9
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL    9
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL    9
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL    9
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL    9
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL    9
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.950  -6.667  10.571
    4    HB3  HIS  52           HB3      HIS  52  -1.107  -7.756  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.223 -10.087  11.740
    6    HD2  HIS  52           HD2      HIS  52   1.289  -7.152   8.979
    7    HE1  HIS  52           HE1      HIS  52   2.443 -10.805  10.753
    8    HE2  HIS  52           HE2      HIS  52   3.107  -9.025   9.068

  No H/Q in entry =           8
  In of MODEL    9
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL    9
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL    9
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.093 -14.225  10.983
    4    HG1  THR  56           HG1      THR  56  -0.367 -12.309  11.389
    5   HG21  THR  56          HG21      THR  56   0.975 -15.668   9.962
    6   HG23  THR  56          HG22      THR  56   0.881 -15.195  11.658
    7   HG22  THR  56          HG23      THR  56   1.846 -14.245  10.530

  No H/Q in entry =           7
  In of MODEL    9
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.632   4.901
    4   HG12  ILE  59          HG12      ILE  59   2.371 -16.280   3.439
    5   HG13  ILE  59          HG13      ILE  59   1.154 -15.317   2.618
    6   HG21  ILE  59          HG21      ILE  59   1.103 -15.973   6.811
    7   HG23  ILE  59          HG22      ILE  59   2.400 -15.071   6.073
    8   HG22  ILE  59          HG23      ILE  59   2.250 -16.794   5.767
    9   HD13  ILE  59          HD11      ILE  59   2.997 -13.858   2.740
   10   HD12  ILE  59          HD12      ILE  59   3.405 -14.377   4.375
   11   HD11  ILE  59          HD13      ILE  59   1.990 -13.362   4.101

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL    9
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL    9
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL    9
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL    9
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL    9
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  74           H        LEU  74  -4.269 -13.669  -2.365
    2    HA   LEU  74           HA       LEU  74  -3.858 -12.550   0.146
    3    HB2  LEU  74           HB2      LEU  74  -2.973 -14.708  -0.508
    4    HB3  LEU  74           HB3      LEU  74  -1.961 -13.962  -1.739
    5    HG   LEU  74           HG       LEU  74  -0.727 -12.757   0.044
    6   HD11  LEU  74          HD11      LEU  74  -2.730 -14.217   1.748
    7   HD13  LEU  74          HD12      LEU  74  -2.216 -12.534   1.843
    8   HD12  LEU  74          HD13      LEU  74  -1.145 -13.816   2.407
    9   HD23  LEU  74          HD21      LEU  74  -0.716 -15.673   0.810
   10   HD22  LEU  74          HD22      LEU  74   0.639 -14.597   0.524
   11   HD21  LEU  74          HD23      LEU  74  -0.288 -15.217  -0.837

  No H/Q in entry =          11
  In of MODEL    9
    1    H    VAL  75           H        VAL  75  -2.624 -11.607  -2.967
    2    HA   VAL  75           HA       VAL  75  -0.658  -9.775  -1.970
    3    HB   VAL  75           HB       VAL  75  -1.955  -9.676  -4.700
    4   HG13  VAL  75          HG11      VAL  75  -0.483  -7.872  -4.503
    5   HG12  VAL  75          HG12      VAL  75   0.558  -9.112  -5.201
    6   HG11  VAL  75          HG13      VAL  75   0.634  -8.766  -3.474
    7   HG21  VAL  75          HG21      VAL  75   0.281 -11.510  -3.752
    8   HG23  VAL  75          HG22      VAL  75  -0.234 -11.319  -5.428
    9   HG22  VAL  75          HG23      VAL  75  -1.336 -12.016  -4.243

  No H/Q in entry =           9
  In of MODEL    9
    1    H    HIS  76           H        HIS  76  -4.283  -9.368  -3.247
    2    HA   HIS  76           HA       HIS  76  -4.581  -6.583  -3.165
    3    HB2  HIS  76           HB2      HIS  76  -6.320  -8.117  -4.073
    4    HB3  HIS  76           HB3      HIS  76  -6.695  -8.640  -2.437
    5    HD1  HIS  76           HD1      HIS  76  -5.948  -5.017  -2.686
    6    HD2  HIS  76           HD2      HIS  76  -9.365  -7.415  -2.985
    7    HE1  HIS  76           HE1      HIS  76  -7.950  -3.454  -2.518

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ALA  77           H        ALA  77  -4.674  -8.976  -0.610
    2    HA   ALA  77           HA       ALA  77  -5.511  -7.086   1.422
    3    HB1  ALA  77           HB1      ALA  77  -4.720  -9.979   1.399
    4    HB3  ALA  77           HB2      ALA  77  -6.222  -9.236   1.944
    5    HB2  ALA  77           HB3      ALA  77  -4.766  -9.102   2.929

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLN  78           H        GLN  78  -2.466  -8.761   0.536
    2    HA   GLN  78           HA       GLN  78  -0.929  -7.683   2.647
    3    HB2  GLN  78           HB2      GLN  78  -0.352  -9.636   1.096
    4    HB3  GLN  78           HB3      GLN  78   0.142  -8.419  -0.080
    5    HG2  GLN  78           HG2      GLN  78   1.724  -7.481   1.564
    6    HG3  GLN  78           HG3      GLN  78   1.244  -8.712   2.728
    7   HE21  GLN  78          HE21      GLN  78   3.949  -8.575   1.884
    8   HE22  GLN  78          HE22      GLN  78   4.294  -9.931   0.923

  No H/Q in entry =           8
  In of MODEL    9
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL    9
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.201   1.168
    4    HB3  HIS  80           HB3      HIS  80  -5.387  -2.810   2.205
    5    HD1  HIS  80           HD1      HIS  80  -6.605  -0.874   1.179
    6    HD2  HIS  80           HD2      HIS  80  -5.154  -3.511  -1.706
    7    HE1  HIS  80           HE1      HIS  80  -7.514  -0.069  -1.052
    8    HE2  HIS  80           HE2      HIS  80  -6.636  -1.672  -2.819

  No H/Q in entry =           8
  In of MODEL    9
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL    9
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL    9
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL    9
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL    9
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL    9
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL    9
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL    9
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.432 -20.437  -4.414
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.881  -3.464
    5    HG2  GLU   5           HG2      GLU   5  10.873 -19.815  -1.477
    6    HG3  GLU   5           HG3      GLU   5   9.458 -19.344  -2.418

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL    9
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL    9
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL    9
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.036 -16.707   0.857
    4    HB3  MET   9           HB3      MET   9  13.730 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.342 -16.593   2.248
    6    HG3  MET   9           HG3      MET   9  11.579 -17.036   0.557
    7    HE2  MET   9           HE1      MET   9  12.549 -19.156   4.388
    8    HE1  MET   9           HE2      MET   9  12.514 -17.430   4.038
    9    HE3  MET   9           HE3      MET   9  13.995 -18.347   3.772

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.948   2.325
    4   HG12  ILE  12          HG12      ILE  12  10.873 -11.621  -0.001
    5   HG13  ILE  12          HG13      ILE  12   9.621 -12.245   1.054
    6   HG21  ILE  12          HG21      ILE  12   9.744  -9.744   3.046
    7   HG23  ILE  12          HG22      ILE  12  10.826 -10.605   4.140
    8   HG22  ILE  12          HG23      ILE  12   9.477 -11.452   3.386
    9   HD13  ILE  12          HD11      ILE  12   8.581 -10.545  -0.236
   10   HD12  ILE  12          HD12      ILE  12   9.950  -9.463  -0.055
   11   HD11  ILE  12          HD13      ILE  12   8.908  -9.798   1.321

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.100 -11.637   3.844
    4   HG12  ILE  13          HG12      ILE  13  13.813 -12.622   4.664
    5   HG13  ILE  13          HG13      ILE  13  15.291 -13.527   4.968
    6   HG22  ILE  13          HG21      ILE  13  17.091 -11.960   6.192
    7   HG21  ILE  13          HG22      ILE  13  16.120 -10.568   6.670
    8   HG23  ILE  13          HG23      ILE  13  17.360 -10.394   5.427
    9   HD13  ILE  13          HD11      ILE  13  15.248 -13.097   7.242
   10   HD12  ILE  13          HD12      ILE  13  13.517 -13.051   6.910
   11   HD11  ILE  13          HD13      ILE  13  14.430 -11.548   7.035

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL    9
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL    9
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL    9
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL    9
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL    9
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL    9
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL    9
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL    9
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL    9
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL    9
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL    9
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.322  -1.676  -5.681
    4    HB3  HIS  52           HB3      HIS  52  17.784  -1.773  -6.663
    5    HD1  HIS  52           HD1      HIS  52  17.385  -2.050  -9.311
    6    HD2  HIS  52           HD2      HIS  52  14.044  -0.910  -7.094
    7    HE1  HIS  52           HE1      HIS  52  15.694  -1.160 -10.972
    8    HE2  HIS  52           HE2      HIS  52  13.651  -0.459  -9.636

  No H/Q in entry =           8
  In of MODEL    9
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL    9
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL    9
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.457 -12.071
    4    HG1  THR  56           HG1      THR  56  17.625  -3.764 -10.863
    5   HG21  THR  56          HG21      THR  56  16.269  -5.067 -14.264
    6   HG23  THR  56          HG22      THR  56  17.766  -4.180 -13.984
    7   HG22  THR  56          HG23      THR  56  16.219  -3.449 -13.567

  No H/Q in entry =           7
  In of MODEL    9
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.827  -7.165 -12.523
    4   HG12  ILE  59          HG12      ILE  59   9.899  -7.057 -14.854
    5   HG13  ILE  59          HG13      ILE  59   9.517  -7.828 -13.322
    6   HG21  ILE  59          HG21      ILE  59  13.415  -6.440 -14.270
    7   HG23  ILE  59          HG22      ILE  59  12.096  -5.313 -14.096
    8   HG22  ILE  59          HG23      ILE  59  12.121  -6.424 -15.456
    9   HD13  ILE  59          HD11      ILE  59   8.669  -5.650 -13.051
   10   HD12  ILE  59          HD12      ILE  59  10.052  -4.920 -13.866
   11   HD11  ILE  59          HD13      ILE  59  10.235  -5.584 -12.243

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL    9
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL    9
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL    9
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL    9
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL    9
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  74           H        LEU  74   6.978 -13.152  -8.611
    2    HA   LEU  74           HA       LEU  74   8.920 -11.214  -8.128
    3    HB2  LEU  74           HB2      LEU  74   8.290 -11.936 -10.356
    4    HB3  LEU  74           HB3      LEU  74   6.657 -11.318 -10.135
    5    HG   LEU  74           HG       LEU  74   7.585  -9.023  -9.931
    6   HD11  LEU  74          HD11      LEU  74  10.151 -10.551 -10.302
    7   HD13  LEU  74          HD12      LEU  74   9.783  -9.271  -9.147
    8   HD12  LEU  74          HD13      LEU  74  10.037  -8.879 -10.847
    9   HD23  LEU  74          HD21      LEU  74   8.688 -10.184 -12.487
   10   HD22  LEU  74          HD22      LEU  74   7.727  -8.736 -12.251
   11   HD21  LEU  74          HD23      LEU  74   6.963 -10.317 -12.155

  No H/Q in entry =          11
  In of MODEL    9
    1    H    VAL  75           H        VAL  75   5.432 -11.037  -7.877
    2    HA   VAL  75           HA       VAL  75   5.268  -8.242  -7.352
    3    HB   VAL  75           HB       VAL  75   3.325 -10.346  -6.376
    4   HG13  VAL  75          HG11      VAL  75   2.690  -8.237  -5.543
    5   HG12  VAL  75          HG12      VAL  75   1.740  -8.389  -7.021
    6   HG11  VAL  75          HG13      VAL  75   3.202  -7.402  -7.010
    7   HG21  VAL  75          HG21      VAL  75   3.540  -9.095  -9.141
    8   HG23  VAL  75          HG22      VAL  75   2.199 -10.096  -8.588
    9   HG22  VAL  75          HG23      VAL  75   3.810 -10.792  -8.745

  No H/Q in entry =           9
  In of MODEL    9
    1    H    HIS  76           H        HIS  76   5.516 -11.173  -5.164
    2    HA   HIS  76           HA       HIS  76   5.224  -9.880  -2.696
    3    HB2  HIS  76           HB2      HIS  76   5.410 -12.399  -3.168
    4    HB3  HIS  76           HB3      HIS  76   7.157 -12.151  -3.129
    5    HD1  HIS  76           HD1      HIS  76   7.952 -12.866  -0.877
    6    HD2  HIS  76           HD2      HIS  76   4.382 -10.728  -0.627
    7    HE1  HIS  76           HE1      HIS  76   7.437 -12.619   1.589

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ALA  77           H        ALA  77   8.147 -10.452  -4.644
    2    HA   ALA  77           HA       ALA  77   9.918  -9.180  -2.803
    3    HB2  ALA  77           HB1      ALA  77  10.086 -10.062  -5.660
    4    HB1  ALA  77           HB2      ALA  77  11.047 -10.571  -4.272
    5    HB3  ALA  77           HB3      ALA  77  11.342  -9.001  -5.018

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLN  78           H        GLN  78   8.148  -8.069  -5.673
    2    HA   GLN  78           HA       GLN  78   9.299  -5.482  -5.778
    3    HB2  GLN  78           HB2      GLN  78   7.924  -6.694  -7.573
    4    HB3  GLN  78           HB3      GLN  78   6.500  -6.183  -6.668
    5    HG2  GLN  78           HG2      GLN  78   7.217  -3.834  -6.867
    6    HG3  GLN  78           HG3      GLN  78   8.633  -4.343  -7.783
    7   HE21  GLN  78          HE21      GLN  78   6.748  -2.584  -8.973
    8   HE22  GLN  78          HE22      GLN  78   5.929  -3.414 -10.208

  No H/Q in entry =           8
  In of MODEL    9
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL    9
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.161  -7.455  -0.515
    4    HB3  HIS  80           HB3      HIS  80  10.042  -6.565   0.728
    5    HD1  HIS  80           HD1      HIS  80   9.371  -6.964   3.104
    6    HD2  HIS  80           HD2      HIS  80   6.488  -8.338   0.424
    7    HE1  HIS  80           HE1      HIS  80   7.612  -8.162   4.491
    8    HE2  HIS  80           HE2      HIS  80   5.848  -9.004   2.866

  No H/Q in entry =           8
  In of MODEL    9
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL    9
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL    9
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL    9
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL    9
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL    9
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL    9
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL    9
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.112  -6.383 -21.725
    4    HB3  GLU   5           HB3      GLU   5   0.412  -5.154 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.478  -4.484 -21.809
    6    HG3  GLU   5           HG3      GLU   5   2.176  -5.666 -20.540

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL    9
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL    9
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL    9
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.434 -21.000
    4    HB3  MET   9           HB3      MET   9   4.425   1.170 -20.552
    5    HG2  MET   9           HG2      MET   9   5.218  -0.955 -19.647
    6    HG3  MET   9           HG3      MET   9   3.656  -1.706 -19.973
    7    HE2  MET   9           HE1      MET   9   7.022  -0.461 -22.660
    8    HE1  MET   9           HE2      MET   9   6.473   0.248 -21.144
    9    HE3  MET   9           HE3      MET   9   5.763   0.782 -22.666

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.485   1.693 -15.886
    4   HG12  ILE  12          HG12      ILE  12   2.682   0.264 -14.956
    5   HG13  ILE  12          HG13      ILE  12   4.234  -0.545 -14.922
    6   HG21  ILE  12          HG21      ILE  12   5.619   1.656 -13.081
    7   HG23  ILE  12          HG22      ILE  12   6.282   2.496 -14.483
    8   HG22  ILE  12          HG23      ILE  12   6.277   0.735 -14.432
    9   HD13  ILE  12          HD11      ILE  12   3.216  -0.989 -12.820
   10   HD12  ILE  12          HD12      ILE  12   2.693   0.676 -12.637
   11   HD11  ILE  12          HD13      ILE  12   4.399   0.271 -12.509

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.809 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.831   3.930 -17.793
    5   HG13  ILE  13          HG13      ILE  13   5.631   4.711 -19.359
    6   HG22  ILE  13          HG21      ILE  13   5.784   7.371 -19.081
    7   HG21  ILE  13          HG22      ILE  13   6.409   7.552 -17.442
    8   HG23  ILE  13          HG23      ILE  13   4.760   8.051 -17.817
    9   HD13  ILE  13          HD11      ILE  13   7.641   5.846 -19.199
   10   HD12  ILE  13          HD12      ILE  13   8.037   4.429 -18.230
   11   HD11  ILE  13          HD13      ILE  13   7.568   5.933 -17.440

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL    9
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL    9
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL    9
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL    9
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL    9
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL    9
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL    9
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL    9
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL    9
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL    9
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL    9
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.042  -8.754
    4    HB3  HIS  52           HB3      HIS  52  -7.536   7.689  -9.497
    5    HD1  HIS  52           HD1      HIS  52  -9.724   6.131  -9.277
    6    HD2  HIS  52           HD2      HIS  52  -6.545   5.147  -6.768
    7    HE1  HIS  52           HE1      HIS  52 -10.671   4.619  -7.487
    8    HE2  HIS  52           HE2      HIS  52  -8.747   4.013  -5.941

  No H/Q in entry =           8
  In of MODEL    9
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL    9
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL    9
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.909   3.583 -12.100
    4    HG1  THR  56           HG1      THR  56 -10.978   4.788 -10.668
    5   HG21  THR  56          HG21      THR  56 -13.296   1.670 -10.714
    6   HG23  THR  56          HG22      THR  56 -13.815   3.349 -10.853
    7   HG22  THR  56          HG23      THR  56 -12.929   2.817  -9.427

  No H/Q in entry =           7
  In of MODEL    9
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.650  -1.988 -10.400
    4   HG12  ILE  59          HG12      ILE  59 -10.969  -4.342  -9.039
    5   HG13  ILE  59          HG13      ILE  59  -9.346  -4.418  -9.704
    6   HG23  ILE  59          HG21      ILE  59 -11.838  -1.038 -10.285
    7   HG22  ILE  59          HG22      ILE  59 -11.524  -1.723  -8.712
    8   HG21  ILE  59          HG23      ILE  59 -12.573  -2.567  -9.839
    9   HD13  ILE  59          HD11      ILE  59  -8.887  -3.787  -7.515
   10   HD12  ILE  59          HD12      ILE  59 -10.357  -2.823  -7.385
   11   HD11  ILE  59          HD13      ILE  59  -8.983  -2.214  -8.307

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL    9
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL    9
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL    9
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL    9
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL    9
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  74           H        LEU  74  -3.301  -7.022 -13.391
    2    HA   LEU  74           HA       LEU  74  -3.927  -4.382 -12.788
    3    HB2  LEU  74           HB2      LEU  74  -5.577  -6.164 -12.845
    4    HB3  LEU  74           HB3      LEU  74  -4.795  -6.983 -11.499
    5    HG   LEU  74           HG       LEU  74  -5.317  -5.037 -10.047
    6   HD11  LEU  74          HD11      LEU  74  -6.487  -4.039 -12.634
    7   HD13  LEU  74          HD12      LEU  74  -5.473  -3.181 -11.475
    8   HD12  LEU  74          HD13      LEU  74  -7.165  -3.505 -11.098
    9   HD23  LEU  74          HD21      LEU  74  -7.910  -5.866 -11.346
   10   HD22  LEU  74          HD22      LEU  74  -7.507  -5.762  -9.641
   11   HD21  LEU  74          HD23      LEU  74  -6.889  -7.097 -10.606

  No H/Q in entry =          11
  In of MODEL    9
    1    H    VAL  75           H        VAL  75  -2.310  -6.807 -10.859
    2    HA   VAL  75           HA       VAL  75  -2.144  -5.290  -8.453
    3    HB   VAL  75           HB       VAL  75  -0.191  -7.427  -9.312
    4   HG13  VAL  75          HG11      VAL  75   0.512  -6.486  -7.273
    5   HG12  VAL  75          HG12      VAL  75  -0.446  -7.872  -6.756
    6   HG11  VAL  75          HG13      VAL  75  -1.140  -6.253  -6.705
    7   HG21  VAL  75          HG21      VAL  75  -2.960  -7.768  -8.092
    8   HG23  VAL  75          HG22      VAL  75  -1.780  -9.062  -8.305
    9   HG22  VAL  75          HG23      VAL  75  -2.475  -8.262  -9.714

  No H/Q in entry =           9
  In of MODEL    9
    1    H    HIS  76           H        HIS  76   0.125  -5.701 -11.295
    2    HA   HIS  76           HA       HIS  76   2.301  -4.245 -10.301
    3    HB2  HIS  76           HB2      HIS  76   2.061  -5.579 -12.522
    4    HB3  HIS  76           HB3      HIS  76   1.481  -4.051 -13.185
    5    HD1  HIS  76           HD1      HIS  76   3.313  -2.696 -14.169
    6    HD2  HIS  76           HD2      HIS  76   4.674  -4.977 -10.956
    7    HE1  HIS  76           HE1      HIS  76   5.785  -2.202 -13.937

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ALA  77           H        ALA  77  -0.576  -3.132 -12.070
    2    HA   ALA  77           HA       ALA  77   0.202  -0.384 -12.094
    3    HB1  ALA  77           HB1      ALA  77  -2.325  -1.898 -12.645
    4    HB3  ALA  77           HB2      ALA  77  -1.392  -0.852 -13.714
    5    HB2  ALA  77           HB3      ALA  77  -2.405  -0.146 -12.455

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLN  78           H        GLN  78  -1.832  -2.353  -9.951
    2    HA   GLN  78           HA       GLN  78  -2.760  -0.214  -8.342
    3    HB2  GLN  78           HB2      GLN  78  -3.656  -2.611  -8.479
    4    HB3  GLN  78           HB3      GLN  78  -2.335  -3.050  -7.396
    5    HG2  GLN  78           HG2      GLN  78  -3.132  -1.390  -5.757
    6    HG3  GLN  78           HG3      GLN  78  -4.463  -0.970  -6.832
    7   HE21  GLN  78          HE21      GLN  78  -5.014  -1.987  -4.236
    8   HE22  GLN  78          HE22      GLN  78  -5.681  -3.540  -4.388

  No H/Q in entry =           8
  In of MODEL    9
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL    9
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.321   0.884 -10.473
    4    HB3  HIS  80           HB3      HIS  80   2.958   2.518 -10.294
    5    HD1  HIS  80           HD1      HIS  80   5.428   2.808 -10.532
    6    HD2  HIS  80           HD2      HIS  80   4.385  -1.182  -9.928
    7    HE1  HIS  80           HE1      HIS  80   7.567   1.461 -10.778
    8    HE2  HIS  80           HE2      HIS  80   6.942  -0.976 -10.414

  No H/Q in entry =           8
  In of MODEL    9
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL    9
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL    9
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL    9
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL    9
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL    9
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL    9
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL    9
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL    9
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL    9
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL    9
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL    9
    1    H    PHE   9           H        PHE   9 -21.288   0.627  -3.917
    2    HA   PHE   9           HA       PHE   9 -18.527   1.517  -4.544
    3    HB2  PHE   9           HB2      PHE   9 -20.344   2.418  -2.301
    4    HB3  PHE   9           HB3      PHE   9 -18.635   2.831  -2.430
    5    HD1  PHE   9           HD1      PHE   9 -21.991   3.472  -3.681
    6    HD2  PHE   9           HD2      PHE   9 -17.812   4.187  -4.362
    7    HE1  PHE   9           HE1      PHE   9 -22.561   5.333  -5.216
    8    HE2  PHE   9           HE2      PHE   9 -18.382   6.049  -5.901
    9    HZ   PHE   9           HZ       PHE   9 -20.757   6.621  -6.327

  No H/Q in entry =           9
  In of MODEL    9
    1    H    CYS  10           H        CYS  10 -16.922   0.853  -3.269
    2    HA   CYS  10           HA       CYS  10 -17.244  -0.923  -0.995
    3    HB2  CYS  10           HB2      CYS  10 -16.044  -2.768  -1.842
    4    HB3  CYS  10           HB3      CYS  10 -17.114  -2.332  -3.178

  No H/Q in entry =           4
  In of MODEL    9
    1    H    SER  11           H        SER  11 -14.248  -1.611  -0.828
    2    HA   SER  11           HA       SER  11 -13.543   1.105  -0.094
    3    HB2  SER  11           HB2      SER  11 -12.206  -1.561   0.161
    4    HB3  SER  11           HB3      SER  11 -11.247  -0.106   0.330
    5    HG   SER  11           HG       SER  11 -12.713  -1.218   2.153

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  12           H        ALA  12 -12.101  -1.316  -2.379
    2    HA   ALA  12           HA       ALA  12 -10.709   0.941  -3.658
    3    HB1  ALA  12           HB1      ALA  12  -9.968  -1.774  -3.006
    4    HB3  ALA  12           HB2      ALA  12  -8.949  -0.448  -3.564
    5    HB2  ALA  12           HB3      ALA  12  -9.770  -1.481  -4.734

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  13           H        GLY  13 -12.809  -1.819  -4.289
    2    HA3  GLY  13           HA2      GLY  13 -14.595  -1.451  -5.935
    3    HA2  GLY  13           HA3      GLY  13 -13.378  -0.709  -6.966

  No H/Q in entry =           3
  In of MODEL    9
    1    H    MET  14           H        MET  14 -12.614  -3.692  -5.168
    2    HA   MET  14           HA       MET  14 -12.470  -5.003  -7.805
    3    HB2  MET  14           HB2      MET  14 -10.407  -4.776  -6.315
    4    HB3  MET  14           HB3      MET  14 -11.156  -5.996  -5.285
    5    HG2  MET  14           HG2      MET  14 -11.451  -7.305  -7.553
    6    HG3  MET  14           HG3      MET  14 -10.146  -6.257  -8.102
    7    HE2  MET  14           HE1      MET  14  -7.116  -7.073  -6.239
    8    HE1  MET  14           HE2      MET  14  -8.098  -5.866  -7.064
    9    HE3  MET  14           HE3      MET  14  -7.621  -7.332  -7.913

  No H/Q in entry =           9
  In of MODEL    9
    1    H    SER  15           H        SER  15 -12.820  -6.337  -4.552
    2    HA   SER  15           HA       SER  15 -14.095  -8.654  -5.189
    3    HB2  SER  15           HB2      SER  15 -15.116  -7.129  -2.825
    4    HB3  SER  15           HB3      SER  15 -14.765  -8.850  -2.981
    5    HG   SER  15           HG       SER  15 -12.698  -8.469  -2.656

  No H/Q in entry =           5
  In of MODEL    9
    1    H    THR  16           H        THR  16 -15.512  -5.451  -5.458
    2    HA   THR  16           HA       THR  16 -18.194  -6.667  -5.630
    3    HB   THR  16           HB       THR  16 -17.438  -3.751  -5.947
    4    HG1  THR  16           HG1      THR  16 -16.895  -4.752  -3.881
    5   HG22  THR  16          HG21      THR  16 -19.901  -3.599  -5.125
    6   HG21  THR  16          HG22      THR  16 -20.007  -5.288  -5.623
    7   HG23  THR  16          HG23      THR  16 -19.604  -4.044  -6.806

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL    9
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL    9
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL    9
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL    9
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL    9
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL    9
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL    9
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL    9
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL    9
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL    9
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL    9
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL    9
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL    9
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.794  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL    9
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL    9
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL    9
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL    9
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL    9
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL    9
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL    9
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL    9
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL    9
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL    9
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL    9
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL    9
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   10
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.299 -14.302  -2.714
    4    HB3  GLU   5           HB3      GLU   5 -14.705 -13.903  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.791 -12.533  -3.717
    6    HG3  GLU   5           HG3      GLU   5 -14.375 -11.489  -2.358

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   10
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   10
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   10
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.429   1.546
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.707   1.340
    5    HG2  MET   9           HG2      MET   9 -14.269  -6.799  -0.973
    6    HG3  MET   9           HG3      MET   9 -13.810  -8.491  -0.785
    7    HE2  MET   9           HE1      MET   9 -17.915  -6.588  -1.131
    8    HE1  MET   9           HE2      MET   9 -16.336  -5.842  -0.908
    9    HE3  MET   9           HE3      MET   9 -17.181  -6.524   0.473

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.946  -4.375   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.259  -6.178   0.976
    5   HG13  ILE  12          HG13      ILE  12  -9.707  -5.432  -0.546
    6   HG21  ILE  12          HG21      ILE  12 -10.204  -2.035   0.925
    7   HG23  ILE  12          HG22      ILE  12 -10.284  -2.955  -0.579
    8   HG22  ILE  12          HG23      ILE  12  -8.726  -2.653   0.201
    9   HD12  ILE  12          HD11      ILE  12  -7.166  -5.024   1.041
   10   HD11  ILE  12          HD12      ILE  12  -7.640  -3.989  -0.295
   11   HD13  ILE  12          HD13      ILE  12  -7.349  -5.701  -0.569

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.607   5.231
    4   HG12  ILE  13          HG12      ILE  13 -13.496  -3.059   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.923  -3.521   3.576
    6   HG21  ILE  13          HG21      ILE  13 -13.903  -0.664   5.445
    7   HG23  ILE  13          HG22      ILE  13 -13.726  -1.849   6.739
    8   HG22  ILE  13          HG23      ILE  13 -15.155  -1.879   5.706
    9   HD11  ILE  13          HD11      ILE  13 -14.220  -0.614   3.436
   10   HD13  ILE  13          HD12      ILE  13 -15.801  -1.376   3.558
   11   HD12  ILE  13          HD13      ILE  13 -14.944  -1.372   2.019

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   10
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   10
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   10
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   10
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   10
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   10
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   10
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   10
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   10
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   10
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   10
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.944  -6.669  10.563
    4    HB3  HIS  52           HB3      HIS  52  -1.112  -7.747  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.246 -10.045  11.818
    6    HD2  HIS  52           HD2      HIS  52   1.263  -7.217   8.930
    7    HE1  HIS  52           HE1      HIS  52   2.457 -10.791  10.833
    8    HE2  HIS  52           HE2      HIS  52   3.092  -9.075   9.071

  No H/Q in entry =           8
  In of MODEL   10
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   10
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   10
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.094 -14.221  10.983
    4    HG1  THR  56           HG1      THR  56   0.265 -12.485  11.506
    5   HG23  THR  56          HG21      THR  56   0.898 -15.183  11.666
    6   HG22  THR  56          HG22      THR  56   1.850 -14.268  10.498
    7   HG21  THR  56          HG23      THR  56   0.939 -15.683   9.976

  No H/Q in entry =           7
  In of MODEL   10
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.914
    4   HG12  ILE  59          HG12      ILE  59   2.415 -16.225   3.464
    5   HG13  ILE  59          HG13      ILE  59   1.136 -15.377   2.609
    6   HG21  ILE  59          HG21      ILE  59   1.121 -16.029   6.796
    7   HG23  ILE  59          HG22      ILE  59   2.386 -15.063   6.086
    8   HG22  ILE  59          HG23      ILE  59   2.291 -16.779   5.726
    9   HD11  ILE  59          HD11      ILE  59   1.816 -13.289   3.900
   10   HD13  ILE  59          HD12      ILE  59   2.974 -13.856   2.697
   11   HD12  ILE  59          HD13      ILE  59   3.247 -14.185   4.407

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   10
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   10
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   10
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   10
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   10
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  74           H        LEU  74  -4.284 -13.676  -2.355
    2    HA   LEU  74           HA       LEU  74  -3.880 -12.587   0.160
    3    HB2  LEU  74           HB2      LEU  74  -2.959 -14.718  -0.522
    4    HB3  LEU  74           HB3      LEU  74  -1.962 -13.941  -1.747
    5    HG   LEU  74           HG       LEU  74  -0.726 -12.753   0.035
    6   HD11  LEU  74          HD11      LEU  74  -2.699 -14.243   1.759
    7   HD13  LEU  74          HD12      LEU  74  -2.254 -12.539   1.819
    8   HD12  LEU  74          HD13      LEU  74  -1.129 -13.766   2.403
    9   HD22  LEU  74          HD21      LEU  74   0.648 -14.598   0.526
   10   HD21  LEU  74          HD22      LEU  74  -0.272 -15.210  -0.837
   11   HD23  LEU  74          HD23      LEU  74  -0.729 -15.662   0.801

  No H/Q in entry =          11
  In of MODEL   10
    1    H    VAL  75           H        VAL  75  -2.682 -11.545  -2.934
    2    HA   VAL  75           HA       VAL  75  -0.740  -9.710  -1.875
    3    HB   VAL  75           HB       VAL  75  -2.013  -9.806  -4.628
    4   HG11  VAL  75          HG11      VAL  75   0.178  -8.212  -3.386
    5   HG13  VAL  75          HG12      VAL  75  -0.953  -7.764  -4.662
    6   HG12  VAL  75          HG13      VAL  75   0.435  -8.784  -5.033
    7   HG21  VAL  75          HG21      VAL  75  -0.869 -11.935  -3.952
    8   HG23  VAL  75          HG22      VAL  75   0.606 -11.013  -3.662
    9   HG22  VAL  75          HG23      VAL  75  -0.059 -11.119  -5.290

  No H/Q in entry =           9
  In of MODEL   10
    1    H    HIS  76           H        HIS  76  -4.316  -9.300  -3.304
    2    HA   HIS  76           HA       HIS  76  -4.692  -6.550  -3.188
    3    HB2  HIS  76           HB2      HIS  76  -6.403  -8.140  -4.062
    4    HB3  HIS  76           HB3      HIS  76  -6.762  -8.633  -2.412
    5    HD1  HIS  76           HD1      HIS  76  -6.078  -5.006  -2.733
    6    HD2  HIS  76           HD2      HIS  76  -9.454  -7.465  -2.989
    7    HE1  HIS  76           HE1      HIS  76  -8.106  -3.473  -2.594

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ALA  77           H        ALA  77  -4.714  -8.914  -0.614
    2    HA   ALA  77           HA       ALA  77  -5.534  -7.005   1.417
    3    HB1  ALA  77           HB1      ALA  77  -4.746  -9.904   1.419
    4    HB3  ALA  77           HB2      ALA  77  -6.257  -9.160   1.940
    5    HB2  ALA  77           HB3      ALA  77  -4.811  -9.006   2.937

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLN  78           H        GLN  78  -2.515  -8.769   0.572
    2    HA   GLN  78           HA       GLN  78  -0.947  -7.691   2.639
    3    HB2  GLN  78           HB2      GLN  78  -0.406  -9.639   1.063
    4    HB3  GLN  78           HB3      GLN  78   0.103  -8.414  -0.098
    5    HG2  GLN  78           HG2      GLN  78   1.699  -7.519   1.557
    6    HG3  GLN  78           HG3      GLN  78   1.205  -8.761   2.704
    7   HE21  GLN  78          HE21      GLN  78   0.916 -10.748   0.384
    8   HE22  GLN  78          HE22      GLN  78   2.512 -11.203   0.029

  No H/Q in entry =           8
  In of MODEL   10
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   10
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.204   1.195
    4    HB3  HIS  80           HB3      HIS  80  -5.393  -2.787   2.193
    5    HD1  HIS  80           HD1      HIS  80  -6.727  -0.971   1.128
    6    HD2  HIS  80           HD2      HIS  80  -5.014  -3.495  -1.714
    7    HE1  HIS  80           HE1      HIS  80  -7.592  -0.199  -1.131
    8    HE2  HIS  80           HE2      HIS  80  -6.554  -1.733  -2.873

  No H/Q in entry =           8
  In of MODEL   10
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   10
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   10
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   10
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   10
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   10
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   10
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   10
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.447 -20.445  -4.423
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.878  -3.444
    5    HG2  GLU   5           HG2      GLU   5   9.887 -21.076  -2.049
    6    HG3  GLU   5           HG3      GLU   5  10.797 -19.664  -1.514

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   10
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   10
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   10
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.041 -16.705   0.860
    4    HB3  MET   9           HB3      MET   9  13.725 -16.163   2.508
    5    HG2  MET   9           HG2      MET   9  11.336 -16.593   2.231
    6    HG3  MET   9           HG3      MET   9  11.590 -17.045   0.545
    7    HE2  MET   9           HE1      MET   9  12.669 -19.287   4.357
    8    HE1  MET   9           HE2      MET   9  12.105 -17.631   4.147
    9    HE3  MET   9           HE3      MET   9  13.796 -18.024   3.847

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.314
    4   HG12  ILE  12          HG12      ILE  12  10.856 -11.566  -0.013
    5   HG13  ILE  12          HG13      ILE  12   9.642 -12.261   1.041
    6   HG23  ILE  12          HG21      ILE  12  10.855 -10.569   4.132
    7   HG22  ILE  12          HG22      ILE  12   9.513 -11.473   3.431
    8   HG21  ILE  12          HG23      ILE  12   9.724  -9.767   3.045
    9   HD12  ILE  12          HD11      ILE  12   9.853  -9.411   0.067
   10   HD11  ILE  12          HD12      ILE  12   8.802  -9.885   1.390
   11   HD13  ILE  12          HD13      ILE  12   8.560 -10.568  -0.212

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.102 -11.636   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.811 -12.620   4.664
    5   HG13  ILE  13          HG13      ILE  13  15.289 -13.528   4.961
    6   HG21  ILE  13          HG21      ILE  13  16.127 -10.516   6.644
    7   HG23  ILE  13          HG22      ILE  13  17.392 -10.444   5.417
    8   HG22  ILE  13          HG23      ILE  13  17.044 -11.966   6.237
    9   HD11  ILE  13          HD11      ILE  13  14.422 -11.558   7.041
   10   HD13  ILE  13          HD12      ILE  13  15.262 -13.096   7.232
   11   HD12  ILE  13          HD13      ILE  13  13.528 -13.073   6.911

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   10
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   10
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   10
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   10
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   10
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   10
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   10
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   10
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   10
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   10
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   10
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.313  -1.676  -5.686
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.653
    5    HD1  HIS  52           HD1      HIS  52  17.441  -1.979  -9.296
    6    HD2  HIS  52           HD2      HIS  52  14.021  -0.983  -7.131
    7    HE1  HIS  52           HE1      HIS  52  15.759  -1.108 -10.976
    8    HE2  HIS  52           HE2      HIS  52  13.668  -0.495  -9.673

  No H/Q in entry =           8
  In of MODEL   10
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   10
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   10
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.066
    4    HG1  THR  56           HG1      THR  56  17.496  -3.331 -11.349
    5   HG23  THR  56          HG21      THR  56  17.767  -4.162 -13.984
    6   HG22  THR  56          HG22      THR  56  16.196  -3.468 -13.584
    7   HG21  THR  56          HG23      THR  56  16.296  -5.093 -14.259

  No H/Q in entry =           7
  In of MODEL   10
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.840  -7.161 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.896  -6.986 -14.832
    5   HG13  ILE  59          HG13      ILE  59   9.525  -7.876 -13.363
    6   HG21  ILE  59          HG21      ILE  59  13.403  -6.461 -14.326
    7   HG23  ILE  59          HG22      ILE  59  12.112  -5.313 -14.083
    8   HG22  ILE  59          HG23      ILE  59  12.065  -6.402 -15.460
    9   HD11  ILE  59          HD11      ILE  59  10.116  -5.759 -12.074
   10   HD13  ILE  59          HD12      ILE  59   8.638  -5.685 -13.033
   11   HD12  ILE  59          HD13      ILE  59  10.114  -4.927 -13.629

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   10
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   10
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   10
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   10
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   10
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  74           H        LEU  74   7.010 -13.170  -8.612
    2    HA   LEU  74           HA       LEU  74   8.950 -11.243  -8.154
    3    HB2  LEU  74           HB2      LEU  74   8.272 -11.938 -10.374
    4    HB3  LEU  74           HB3      LEU  74   6.647 -11.312 -10.116
    5    HG   LEU  74           HG       LEU  74   7.578  -9.025  -9.930
    6   HD11  LEU  74          HD11      LEU  74  10.152 -10.539 -10.349
    7   HD13  LEU  74          HD12      LEU  74   9.782  -9.317  -9.134
    8   HD12  LEU  74          HD13      LEU  74  10.020  -8.845 -10.817
    9   HD22  LEU  74          HD21      LEU  74   7.720  -8.731 -12.259
   10   HD21  LEU  74          HD22      LEU  74   6.957 -10.308 -12.159
   11   HD23  LEU  74          HD23      LEU  74   8.684 -10.190 -12.474

  No H/Q in entry =          11
  In of MODEL   10
    1    H    VAL  75           H        VAL  75   5.477 -11.033  -7.821
    2    HA   VAL  75           HA       VAL  75   5.366  -8.234  -7.276
    3    HB   VAL  75           HB       VAL  75   3.431 -10.445  -6.518
    4   HG11  VAL  75          HG11      VAL  75   3.370  -7.462  -6.281
    5   HG13  VAL  75          HG12      VAL  75   2.710  -8.685  -5.195
    6   HG12  VAL  75          HG13      VAL  75   1.873  -8.297  -6.697
    7   HG21  VAL  75          HG21      VAL  75   3.857 -10.235  -8.970
    8   HG23  VAL  75          HG22      VAL  75   3.416  -8.530  -8.882
    9   HG22  VAL  75          HG23      VAL  75   2.212  -9.770  -8.540

  No H/Q in entry =           9
  In of MODEL   10
    1    H    HIS  76           H        HIS  76   5.561 -11.198  -5.127
    2    HA   HIS  76           HA       HIS  76   5.287  -9.968  -2.638
    3    HB2  HIS  76           HB2      HIS  76   5.535 -12.478  -3.200
    4    HB3  HIS  76           HB3      HIS  76   7.273 -12.183  -3.097
    5    HD1  HIS  76           HD1      HIS  76   7.986 -12.991  -0.844
    6    HD2  HIS  76           HD2      HIS  76   4.408 -10.860  -0.644
    7    HE1  HIS  76           HE1      HIS  76   7.392 -12.817   1.611

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ALA  77           H        ALA  77   8.194 -10.427  -4.620
    2    HA   ALA  77           HA       ALA  77   9.944  -9.145  -2.750
    3    HB2  ALA  77           HB1      ALA  77  10.152 -10.019  -5.610
    4    HB1  ALA  77           HB2      ALA  77  11.092 -10.538  -4.212
    5    HB3  ALA  77           HB3      ALA  77  11.393  -8.960  -4.938

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLN  78           H        GLN  78   8.195  -8.082  -5.656
    2    HA   GLN  78           HA       GLN  78   9.301  -5.484  -5.776
    3    HB2  GLN  78           HB2      GLN  78   7.920  -6.739  -7.546
    4    HB3  GLN  78           HB3      GLN  78   6.502  -6.203  -6.645
    5    HG2  GLN  78           HG2      GLN  78   7.230  -3.862  -6.893
    6    HG3  GLN  78           HG3      GLN  78   8.641  -4.396  -7.805
    7   HE21  GLN  78          HE21      GLN  78   6.945  -6.591  -9.103
    8   HE22  GLN  78          HE22      GLN  78   6.041  -5.773 -10.285

  No H/Q in entry =           8
  In of MODEL   10
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   10
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.187  -7.443  -0.521
    4    HB3  HIS  80           HB3      HIS  80  10.030  -6.562   0.755
    5    HD1  HIS  80           HD1      HIS  80   9.362  -7.094   3.094
    6    HD2  HIS  80           HD2      HIS  80   6.443  -8.264   0.356
    7    HE1  HIS  80           HE1      HIS  80   7.566  -8.299   4.426
    8    HE2  HIS  80           HE2      HIS  80   5.781  -9.017   2.766

  No H/Q in entry =           8
  In of MODEL   10
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   10
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   10
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   10
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   10
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   10
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   10
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   10
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.085  -6.376 -21.754
    4    HB3  GLU   5           HB3      GLU   5   0.446  -5.133 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.542  -6.118 -22.259
    6    HG3  GLU   5           HG3      GLU   5   2.458  -4.496 -21.578

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   10
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   10
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   10
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.886   0.439 -21.001
    4    HB3  MET   9           HB3      MET   9   4.429   1.167 -20.550
    5    HG2  MET   9           HG2      MET   9   5.206  -0.967 -19.642
    6    HG3  MET   9           HG3      MET   9   3.642  -1.707 -19.985
    7    HE2  MET   9           HE1      MET   9   6.964  -0.453 -22.829
    8    HE1  MET   9           HE2      MET   9   6.763  -0.114 -21.112
    9    HE3  MET   9           HE3      MET   9   5.866   0.827 -22.300

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.479   1.689 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.663   0.283 -14.892
    5   HG13  ILE  12          HG13      ILE  12   4.207  -0.540 -14.963
    6   HG23  ILE  12          HG21      ILE  12   6.262   2.526 -14.468
    7   HG22  ILE  12          HG22      ILE  12   6.300   0.762 -14.467
    8   HG21  ILE  12          HG23      ILE  12   5.628   1.631 -13.089
    9   HD12  ILE  12          HD11      ILE  12   2.847   0.655 -12.549
   10   HD11  ILE  12          HD12      ILE  12   4.533   0.169 -12.546
   11   HD13  ILE  12          HD13      ILE  12   3.274  -1.023 -12.840

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.811 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.830   3.929 -17.791
    5   HG13  ILE  13          HG13      ILE  13   5.626   4.707 -19.358
    6   HG21  ILE  13          HG21      ILE  13   6.376   7.574 -17.401
    7   HG23  ILE  13          HG22      ILE  13   4.743   8.044 -17.874
    8   HG22  ILE  13          HG23      ILE  13   5.842   7.354 -19.068
    9   HD11  ILE  13          HD11      ILE  13   7.577   5.924 -17.444
   10   HD13  ILE  13          HD12      ILE  13   7.627   5.851 -19.205
   11   HD12  ILE  13          HD13      ILE  13   8.036   4.426 -18.251

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   10
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   10
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   10
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   10
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   10
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   10
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   10
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   10
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   10
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   10
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   10
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.033  -8.749
    4    HB3  HIS  52           HB3      HIS  52  -7.527   7.694  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.743   6.214  -9.253
    6    HD2  HIS  52           HD2      HIS  52  -6.562   5.081  -6.810
    7    HE1  HIS  52           HE1      HIS  52 -10.711   4.692  -7.483
    8    HE2  HIS  52           HE2      HIS  52  -8.786   3.995  -5.977

  No H/Q in entry =           8
  In of MODEL   10
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   10
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   10
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.901   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -11.426   4.714 -10.198
    5   HG23  THR  56          HG21      THR  56 -13.821   3.355 -10.851
    6   HG22  THR  56          HG22      THR  56 -12.940   2.788  -9.433
    7   HG21  THR  56          HG23      THR  56 -13.296   1.675 -10.752

  No H/Q in entry =           7
  In of MODEL   10
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.670  -1.965 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.927  -4.282  -8.949
    5   HG13  ILE  59          HG13      ILE  59  -9.383  -4.462  -9.767
    6   HG23  ILE  59          HG21      ILE  59 -11.952  -1.140 -10.332
    7   HG22  ILE  59          HG22      ILE  59 -11.486  -1.653  -8.731
    8   HG21  ILE  59          HG23      ILE  59 -12.541  -2.667  -9.702
    9   HD11  ILE  59          HD11      ILE  59  -8.674  -2.328  -8.488
   10   HD13  ILE  59          HD12      ILE  59  -8.773  -3.835  -7.580
   11   HD12  ILE  59          HD13      ILE  59 -10.074  -2.651  -7.466

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   10
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   10
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   10
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   10
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   10
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  74           H        LEU  74  -3.306  -7.014 -13.413
    2    HA   LEU  74           HA       LEU  74  -3.950  -4.383 -12.832
    3    HB2  LEU  74           HB2      LEU  74  -5.587  -6.171 -12.847
    4    HB3  LEU  74           HB3      LEU  74  -4.783  -6.976 -11.506
    5    HG   LEU  74           HG       LEU  74  -5.311  -5.040 -10.053
    6   HD11  LEU  74          HD11      LEU  74  -6.526  -4.039 -12.623
    7   HD13  LEU  74          HD12      LEU  74  -5.453  -3.192 -11.511
    8   HD12  LEU  74          HD13      LEU  74  -7.134  -3.481 -11.066
    9   HD22  LEU  74          HD21      LEU  74  -7.514  -5.758  -9.641
   10   HD21  LEU  74          HD22      LEU  74  -6.893  -7.091 -10.599
   11   HD23  LEU  74          HD23      LEU  74  -7.896  -5.862 -11.359

  No H/Q in entry =          11
  In of MODEL   10
    1    H    VAL  75           H        VAL  75  -2.281  -6.748 -10.884
    2    HA   VAL  75           HA       VAL  75  -2.144  -5.188  -8.500
    3    HB   VAL  75           HB       VAL  75  -0.356  -7.454  -9.424
    4   HG11  VAL  75          HG11      VAL  75  -0.590  -5.878  -6.888
    5   HG13  VAL  75          HG12      VAL  75   0.849  -6.531  -7.668
    6   HG12  VAL  75          HG13      VAL  75  -0.230  -7.600  -6.773
    7   HG21  VAL  75          HG21      VAL  75  -2.788  -8.039  -9.254
    8   HG23  VAL  75          HG22      VAL  75  -2.780  -7.474  -7.583
    9   HG22  VAL  75          HG23      VAL  75  -1.809  -8.870  -8.046

  No H/Q in entry =           9
  In of MODEL   10
    1    H    HIS  76           H        HIS  76   0.150  -5.654 -11.315
    2    HA   HIS  76           HA       HIS  76   2.326  -4.196 -10.350
    3    HB2  HIS  76           HB2      HIS  76   2.272  -5.511 -12.491
    4    HB3  HIS  76           HB3      HIS  76   1.364  -4.185 -13.217
    5    HD1  HIS  76           HD1      HIS  76   3.338  -3.590 -14.818
    6    HD2  HIS  76           HD2      HIS  76   4.297  -3.294 -10.773
    7    HE1  HIS  76           HE1      HIS  76   5.545  -2.354 -14.694

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ALA  77           H        ALA  77  -0.562  -3.068 -12.081
    2    HA   ALA  77           HA       ALA  77   0.226  -0.317 -12.081
    3    HB2  ALA  77           HB1      ALA  77  -2.312  -1.812 -12.645
    4    HB1  ALA  77           HB2      ALA  77  -1.361  -0.784 -13.716
    5    HB3  ALA  77           HB3      ALA  77  -2.366  -0.058 -12.463

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLN  78           H        GLN  78  -1.826  -2.315  -9.982
    2    HA   GLN  78           HA       GLN  78  -2.761  -0.211  -8.337
    3    HB2  GLN  78           HB2      GLN  78  -3.621  -2.627  -8.516
    4    HB3  GLN  78           HB3      GLN  78  -2.312  -3.048  -7.412
    5    HG2  GLN  78           HG2      GLN  78  -3.163  -1.406  -5.782
    6    HG3  GLN  78           HG3      GLN  78  -4.482  -1.003  -6.879
    7   HE21  GLN  78          HE21      GLN  78  -4.652  -3.942  -7.722
    8   HE22  GLN  78          HE22      GLN  78  -5.467  -4.697  -6.438

  No H/Q in entry =           8
  In of MODEL   10
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   10
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.303   0.908 -10.477
    4    HB3  HIS  80           HB3      HIS  80   2.987   2.522 -10.288
    5    HD1  HIS  80           HD1      HIS  80   5.441   2.729 -10.635
    6    HD2  HIS  80           HD2      HIS  80   4.330  -1.208  -9.837
    7    HE1  HIS  80           HE1      HIS  80   7.547   1.327 -10.865
    8    HE2  HIS  80           HE2      HIS  80   6.880  -1.077 -10.381

  No H/Q in entry =           8
  In of MODEL   10
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   10
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   10
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   10
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   10
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   10
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   10
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   10
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   10
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   10
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   10
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   10
    1    H    PHE   9           H        PHE   9 -21.262   0.644  -3.893
    2    HA   PHE   9           HA       PHE   9 -18.512   1.548  -4.549
    3    HB2  PHE   9           HB2      PHE   9 -20.327   2.474  -2.315
    4    HB3  PHE   9           HB3      PHE   9 -18.620   2.895  -2.454
    5    HD1  PHE   9           HD1      PHE   9 -21.982   3.495  -3.711
    6    HD2  PHE   9           HD2      PHE   9 -17.809   4.226  -4.408
    7    HE1  PHE   9           HE1      PHE   9 -22.565   5.328  -5.275
    8    HE2  PHE   9           HE2      PHE   9 -18.391   6.058  -5.975
    9    HZ   PHE   9           HZ       PHE   9 -20.770   6.610  -6.408

  No H/Q in entry =           9
  In of MODEL   10
    1    H    CYS  10           H        CYS  10 -16.862   0.960  -3.187
    2    HA   CYS  10           HA       CYS  10 -17.157  -0.648  -0.829
    3    HB2  CYS  10           HB2      CYS  10 -16.133  -2.663  -1.562
    4    HB3  CYS  10           HB3      CYS  10 -17.335  -2.295  -2.803

  No H/Q in entry =           4
  In of MODEL   10
    1    H    SER  11           H        SER  11 -14.639  -1.320  -0.124
    2    HA   SER  11           HA       SER  11 -13.421   1.158   0.154
    3    HB2  SER  11           HB2      SER  11 -11.316  -0.175   0.746
    4    HB3  SER  11           HB3      SER  11 -12.746  -0.508   1.700
    5    HG   SER  11           HG       SER  11 -12.773  -2.460   0.928

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  12           H        ALA  12 -12.873  -1.184  -2.566
    2    HA   ALA  12           HA       ALA  12 -11.046   0.879  -3.609
    3    HB1  ALA  12           HB1      ALA  12 -10.369  -1.834  -2.903
    4    HB3  ALA  12           HB2      ALA  12  -9.318  -0.547  -3.491
    5    HB2  ALA  12           HB3      ALA  12 -10.159  -1.590  -4.637

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  13           H        GLY  13 -13.107  -1.894  -4.259
    2    HA3  GLY  13           HA2      GLY  13 -14.910  -1.585  -5.878
    3    HA2  GLY  13           HA3      GLY  13 -13.752  -0.739  -6.897

  No H/Q in entry =           3
  In of MODEL   10
    1    H    MET  14           H        MET  14 -12.787  -3.690  -5.221
    2    HA   MET  14           HA       MET  14 -12.631  -4.975  -7.873
    3    HB2  MET  14           HB2      MET  14 -10.514  -4.664  -6.572
    4    HB3  MET  14           HB3      MET  14 -11.159  -5.770  -5.358
    5    HG2  MET  14           HG2      MET  14 -11.380  -7.531  -7.064
    6    HG3  MET  14           HG3      MET  14 -10.764  -6.429  -8.294
    7    HE3  MET  14           HE1      MET  14  -8.455  -9.284  -7.708
    8    HE2  MET  14           HE2      MET  14  -7.945  -7.975  -8.770
    9    HE1  MET  14           HE3      MET  14  -9.642  -8.443  -8.714

  No H/Q in entry =           9
  In of MODEL   10
    1    H    SER  15           H        SER  15 -12.881  -6.276  -4.569
    2    HA   SER  15           HA       SER  15 -14.084  -8.661  -5.186
    3    HB2  SER  15           HB2      SER  15 -15.104  -7.118  -2.831
    4    HB3  SER  15           HB3      SER  15 -14.743  -8.839  -2.969
    5    HG   SER  15           HG       SER  15 -12.706  -8.440  -2.582

  No H/Q in entry =           5
  In of MODEL   10
    1    H    THR  16           H        THR  16 -15.522  -5.488  -5.462
    2    HA   THR  16           HA       THR  16 -18.205  -6.704  -5.640
    3    HB   THR  16           HB       THR  16 -17.460  -3.785  -5.942
    4    HG1  THR  16           HG1      THR  16 -16.880  -4.301  -3.906
    5   HG23  THR  16          HG21      THR  16 -19.629  -4.067  -6.783
    6   HG22  THR  16          HG22      THR  16 -19.922  -3.661  -5.091
    7   HG21  THR  16          HG23      THR  16 -20.016  -5.340  -5.624

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   10
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   10
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   10
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   10
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   10
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   10
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   10
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   10
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   10
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   10
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   10
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   10
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   10
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   10
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   10
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   10
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   10
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   10
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   10
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   10
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   10
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   10
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   10
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   10
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   10
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   11
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.294 -14.293  -2.721
    4    HB3  GLU   5           HB3      GLU   5 -14.701 -13.915  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.821 -12.524  -3.692
    6    HG3  GLU   5           HG3      GLU   5 -14.376 -11.487  -2.337

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   11
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   11
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   11
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.710  -8.427   1.549
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.706   1.337
    5    HG2  MET   9           HG2      MET   9 -14.274  -6.804  -0.974
    6    HG3  MET   9           HG3      MET   9 -13.805  -8.493  -0.782
    7    HE2  MET   9           HE1      MET   9 -17.852  -6.548  -1.168
    8    HE1  MET   9           HE2      MET   9 -16.309  -5.865  -0.665
    9    HE3  MET   9           HE3      MET   9 -17.331  -6.672   0.515

  No H/Q in entry =           9
  In of MODEL   11
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.383   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.249  -6.174   0.967
    5   HG13  ILE  12          HG13      ILE  12  -9.698  -5.423  -0.551
    6   HG22  ILE  12          HG21      ILE  12  -8.738  -2.623   0.198
    7   HG21  ILE  12          HG22      ILE  12 -10.241  -2.038   0.915
    8   HG23  ILE  12          HG23      ILE  12 -10.274  -2.985  -0.578
    9   HD12  ILE  12          HD11      ILE  12  -7.163  -5.004   1.043
   10   HD11  ILE  12          HD12      ILE  12  -7.638  -3.974  -0.295
   11   HD13  ILE  12          HD13      ILE  12  -7.337  -5.685  -0.566

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.233
    4   HG12  ILE  13          HG12      ILE  13 -13.496  -3.072   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.928  -3.517   3.579
    6   HG22  ILE  13          HG21      ILE  13 -15.154  -1.888   5.714
    7   HG21  ILE  13          HG22      ILE  13 -13.917  -0.663   5.432
    8   HG23  ILE  13          HG23      ILE  13 -13.717  -1.835   6.735
    9   HD11  ILE  13          HD11      ILE  13 -14.207  -0.616   3.428
   10   HD13  ILE  13          HD12      ILE  13 -15.793  -1.368   3.541
   11   HD12  ILE  13          HD13      ILE  13 -14.924  -1.374   2.008

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   11
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   11
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   11
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   11
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   11
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   11
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   11
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   11
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   11
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   11
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   11
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   11
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   11
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.938  -6.672  10.556
    4    HB3  HIS  52           HB3      HIS  52  -1.116  -7.740  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.211 -10.069  11.805
    6    HD2  HIS  52           HD2      HIS  52   1.295  -7.213   8.969
    7    HE1  HIS  52           HE1      HIS  52   2.428 -10.823  10.842
    8    HE2  HIS  52           HE2      HIS  52   3.104  -9.091   9.112

  No H/Q in entry =           8
  In of MODEL   11
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   11
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   11
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   11
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.094 -14.222  10.983
    4    HG1  THR  56           HG1      THR  56   0.948 -12.435  10.227
    5   HG22  THR  56          HG21      THR  56   1.855 -14.274  10.509
    6   HG21  THR  56          HG22      THR  56   0.943 -15.686   9.979
    7   HG23  THR  56          HG23      THR  56   0.881 -15.180  11.666

  No H/Q in entry =           7
  In of MODEL   11
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.300 -14.625   4.865
    4   HG12  ILE  59          HG12      ILE  59   2.439 -16.291   3.533
    5   HG13  ILE  59          HG13      ILE  59   1.211 -15.430   2.618
    6   HG23  ILE  59          HG21      ILE  59   1.923 -14.943   6.447
    7   HG22  ILE  59          HG22      ILE  59   2.574 -16.352   5.653
    8   HG21  ILE  59          HG23      ILE  59   1.136 -16.497   6.650
    9   HD13  ILE  59          HD11      ILE  59   3.036 -13.921   2.718
   10   HD12  ILE  59          HD12      ILE  59   3.332 -14.276   4.420
   11   HD11  ILE  59          HD13      ILE  59   1.911 -13.345   3.948

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   11
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   11
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   11
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   11
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   11
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU  74           H        LEU  74  -4.292 -13.681  -2.345
    2    HA   LEU  74           HA       LEU  74  -3.879 -12.580   0.163
    3    HB2  LEU  74           HB2      LEU  74  -2.983 -14.730  -0.573
    4    HB3  LEU  74           HB3      LEU  74  -1.921 -13.917  -1.718
    5    HG   LEU  74           HG       LEU  74  -0.796 -12.781   0.187
    6   HD13  LEU  74          HD11      LEU  74  -2.378 -12.700   1.920
    7   HD12  LEU  74          HD12      LEU  74  -1.292 -13.978   2.460
    8   HD11  LEU  74          HD13      LEU  74  -2.837 -14.390   1.715
    9   HD22  LEU  74          HD21      LEU  74   0.606 -14.613   0.586
   10   HD21  LEU  74          HD22      LEU  74  -0.286 -15.201  -0.805
   11   HD23  LEU  74          HD23      LEU  74  -0.749 -15.716   0.812

  No H/Q in entry =          11
  In of MODEL   11
    1    H    VAL  75           H        VAL  75  -2.646 -11.586  -2.932
    2    HA   VAL  75           HA       VAL  75  -0.701  -9.749  -1.895
    3    HB   VAL  75           HB       VAL  75  -1.992  -9.882  -4.639
    4   HG13  VAL  75          HG11      VAL  75  -0.982  -7.819  -4.709
    5   HG12  VAL  75          HG12      VAL  75   0.430  -8.809  -5.075
    6   HG11  VAL  75          HG13      VAL  75   0.168  -8.219  -3.435
    7   HG21  VAL  75          HG21      VAL  75   0.547 -11.126  -3.521
    8   HG23  VAL  75          HG22      VAL  75   0.166 -11.053  -5.241
    9   HG22  VAL  75          HG23      VAL  75  -0.866 -11.975  -4.149

  No H/Q in entry =           9
  In of MODEL   11
    1    H    HIS  76           H        HIS  76  -4.302  -9.349  -3.252
    2    HA   HIS  76           HA       HIS  76  -4.645  -6.581  -3.155
    3    HB2  HIS  76           HB2      HIS  76  -6.364  -8.164  -4.041
    4    HB3  HIS  76           HB3      HIS  76  -6.740  -8.645  -2.392
    5    HD1  HIS  76           HD1      HIS  76  -6.013  -5.025  -2.738
    6    HD2  HIS  76           HD2      HIS  76  -9.415  -7.450  -2.980
    7    HE1  HIS  76           HE1      HIS  76  -8.025  -3.470  -2.618

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ALA  77           H        ALA  77  -4.692  -8.957  -0.590
    2    HA   ALA  77           HA       ALA  77  -5.517  -7.057   1.445
    3    HB1  ALA  77           HB1      ALA  77  -4.712  -9.951   1.442
    4    HB3  ALA  77           HB2      ALA  77  -6.230  -9.218   1.959
    5    HB2  ALA  77           HB3      ALA  77  -4.788  -9.058   2.961

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLN  78           H        GLN  78  -2.493  -8.766   0.552
    2    HA   GLN  78           HA       GLN  78  -0.921  -7.702   2.633
    3    HB2  GLN  78           HB2      GLN  78  -0.388  -9.642   1.035
    4    HB3  GLN  78           HB3      GLN  78   0.130  -8.403  -0.107
    5    HG2  GLN  78           HG2      GLN  78   1.723  -7.535   1.560
    6    HG3  GLN  78           HG3      GLN  78   1.215  -8.781   2.697
    7   HE21  GLN  78          HE21      GLN  78   1.980  -8.922  -0.834
    8   HE22  GLN  78          HE22      GLN  78   3.128 -10.161  -0.675

  No H/Q in entry =           8
  In of MODEL   11
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   11
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.175
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.803   2.201
    5    HD1  HIS  80           HD1      HIS  80  -6.698  -0.945   1.173
    6    HD2  HIS  80           HD2      HIS  80  -5.057  -3.463  -1.717
    7    HE1  HIS  80           HE1      HIS  80  -7.580  -0.138  -1.067
    8    HE2  HIS  80           HE2      HIS  80  -6.586  -1.667  -2.838

  No H/Q in entry =           8
  In of MODEL   11
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   11
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   11
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   11
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   11
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   11
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   11
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   11
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.436 -20.439  -4.416
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.881  -3.459
    5    HG2  GLU   5           HG2      GLU   5   9.932 -21.085  -2.021
    6    HG3  GLU   5           HG3      GLU   5  10.815 -19.645  -1.516

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   11
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   11
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   11
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.037 -16.706   0.857
    4    HB3  MET   9           HB3      MET   9  13.729 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.342 -16.595   2.247
    6    HG3  MET   9           HG3      MET   9  11.579 -17.035   0.556
    7    HE2  MET   9           HE1      MET   9  12.595 -19.247   4.364
    8    HE1  MET   9           HE2      MET   9  12.301 -17.530   4.098
    9    HE3  MET   9           HE3      MET   9  13.906 -18.199   3.808

  No H/Q in entry =           9
  In of MODEL   11
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.313
    4   HG12  ILE  12          HG12      ILE  12  10.854 -11.573  -0.011
    5   HG13  ILE  12          HG13      ILE  12   9.633 -12.254   1.045
    6   HG21  ILE  12          HG21      ILE  12   9.713  -9.776   3.045
    7   HG23  ILE  12          HG22      ILE  12  10.853 -10.566   4.135
    8   HG22  ILE  12          HG23      ILE  12   9.523 -11.484   3.431
    9   HD12  ILE  12          HD11      ILE  12   9.867  -9.413   0.053
   10   HD11  ILE  12          HD12      ILE  12   8.816  -9.866   1.383
   11   HD13  ILE  12          HD13      ILE  12   8.563 -10.560  -0.212

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.102 -11.636   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.816 -12.626   4.655
    5   HG13  ILE  13          HG13      ILE  13  15.294 -13.528   4.971
    6   HG22  ILE  13          HG21      ILE  13  17.056 -11.965   6.225
    7   HG21  ILE  13          HG22      ILE  13  16.124 -10.530   6.652
    8   HG23  ILE  13          HG23      ILE  13  17.383 -10.431   5.420
    9   HD11  ILE  13          HD11      ILE  13  14.426 -11.549   7.035
   10   HD13  ILE  13          HD12      ILE  13  15.231 -13.103   7.238
   11   HD12  ILE  13          HD13      ILE  13  13.502 -13.044   6.898

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   11
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   11
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   11
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   11
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   11
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   11
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   11
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   11
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   11
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   11
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   11
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   11
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   11
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.305  -1.676  -5.690
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.644
    5    HD1  HIS  52           HD1      HIS  52  17.448  -2.021  -9.296
    6    HD2  HIS  52           HD2      HIS  52  14.041  -0.942  -7.149
    7    HE1  HIS  52           HE1      HIS  52  15.784  -1.141 -10.989
    8    HE2  HIS  52           HE2      HIS  52  13.702  -0.478  -9.696

  No H/Q in entry =           8
  In of MODEL   11
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   11
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   11
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   11
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.066
    4    HG1  THR  56           HG1      THR  56  16.056  -3.329 -11.531
    5   HG22  THR  56          HG21      THR  56  16.203  -3.464 -13.593
    6   HG21  THR  56          HG22      THR  56  16.298  -5.091 -14.264
    7   HG23  THR  56          HG23      THR  56  17.772  -4.171 -13.972

  No H/Q in entry =           7
  In of MODEL   11
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.792  -7.176 -12.515
    4   HG12  ILE  59          HG12      ILE  59   9.958  -6.972 -14.909
    5   HG13  ILE  59          HG13      ILE  59   9.510  -7.842 -13.450
    6   HG23  ILE  59          HG21      ILE  59  12.602  -5.448 -13.781
    7   HG22  ILE  59          HG22      ILE  59  11.830  -6.012 -15.240
    8   HG21  ILE  59          HG23      ILE  59  13.335  -6.744 -14.709
    9   HD13  ILE  59          HD11      ILE  59   8.643  -5.661 -13.124
   10   HD12  ILE  59          HD12      ILE  59  10.109  -4.905 -13.747
   11   HD11  ILE  59          HD13      ILE  59  10.127  -5.698 -12.173

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   11
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   11
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   11
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   11
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   11
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU  74           H        LEU  74   7.004 -13.166  -8.614
    2    HA   LEU  74           HA       LEU  74   8.958 -11.250  -8.139
    3    HB2  LEU  74           HB2      LEU  74   8.267 -11.983 -10.361
    4    HB3  LEU  74           HB3      LEU  74   6.676 -11.268 -10.128
    5    HG   LEU  74           HG       LEU  74   7.761  -9.032  -9.921
    6   HD13  LEU  74          HD11      LEU  74   9.959  -9.442  -9.210
    7   HD12  LEU  74          HD12      LEU  74  10.182  -9.047 -10.913
    8   HD11  LEU  74          HD13      LEU  74  10.207 -10.730 -10.387
    9   HD22  LEU  74          HD21      LEU  74   7.805  -8.737 -12.242
   10   HD21  LEU  74          HD22      LEU  74   7.003 -10.294 -12.140
   11   HD23  LEU  74          HD23      LEU  74   8.722 -10.218 -12.505

  No H/Q in entry =          11
  In of MODEL   11
    1    H    VAL  75           H        VAL  75   5.489 -11.038  -7.838
    2    HA   VAL  75           HA       VAL  75   5.358  -8.237  -7.321
    3    HB   VAL  75           HB       VAL  75   3.442 -10.462  -6.558
    4   HG13  VAL  75          HG11      VAL  75   2.699  -8.733  -5.219
    5   HG12  VAL  75          HG12      VAL  75   1.871  -8.311  -6.718
    6   HG11  VAL  75          HG13      VAL  75   3.366  -7.487  -6.275
    7   HG21  VAL  75          HG21      VAL  75   3.597  -8.598  -8.953
    8   HG23  VAL  75          HG22      VAL  75   2.177  -9.570  -8.569
    9   HG22  VAL  75          HG23      VAL  75   3.703 -10.359  -8.962

  No H/Q in entry =           9
  In of MODEL   11
    1    H    HIS  76           H        HIS  76   5.565 -11.174  -5.136
    2    HA   HIS  76           HA       HIS  76   5.289  -9.901  -2.664
    3    HB2  HIS  76           HB2      HIS  76   5.429 -12.389  -3.050
    4    HB3  HIS  76           HB3      HIS  76   7.176 -12.198  -3.217
    5    HD1  HIS  76           HD1      HIS  76   5.294 -10.071  -0.780
    6    HD2  HIS  76           HD2      HIS  76   7.667 -13.499  -0.709
    7    HE1  HIS  76           HE1      HIS  76   5.849 -10.509   1.652

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ALA  77           H        ALA  77   8.204 -10.433  -4.627
    2    HA   ALA  77           HA       ALA  77   9.971  -9.138  -2.791
    3    HB2  ALA  77           HB1      ALA  77  10.145 -10.009  -5.656
    4    HB1  ALA  77           HB2      ALA  77  11.094 -10.538  -4.268
    5    HB3  ALA  77           HB3      ALA  77  11.398  -8.960  -4.991

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLN  78           H        GLN  78   8.180  -8.073  -5.664
    2    HA   GLN  78           HA       GLN  78   9.287  -5.472  -5.797
    3    HB2  GLN  78           HB2      GLN  78   7.888  -6.741  -7.552
    4    HB3  GLN  78           HB3      GLN  78   6.482  -6.184  -6.646
    5    HG2  GLN  78           HG2      GLN  78   7.223  -3.853  -6.919
    6    HG3  GLN  78           HG3      GLN  78   8.631  -4.403  -7.826
    7   HE21  GLN  78          HE21      GLN  78   5.163  -5.399  -7.986
    8   HE22  GLN  78          HE22      GLN  78   5.008  -5.092  -9.648

  No H/Q in entry =           8
  In of MODEL   11
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   11
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.169  -7.451  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.038  -6.564   0.737
    5    HD1  HIS  80           HD1      HIS  80   9.394  -7.050   3.094
    6    HD2  HIS  80           HD2      HIS  80   6.448  -8.270   0.408
    7    HE1  HIS  80           HE1      HIS  80   7.617  -8.239   4.466
    8    HE2  HIS  80           HE2      HIS  80   5.815  -8.987   2.838

  No H/Q in entry =           8
  In of MODEL   11
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   11
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   11
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   11
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   11
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   11
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   11
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   11
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.094  -6.379 -21.744
    4    HB3  GLU   5           HB3      GLU   5   0.435  -5.140 -22.953
    5    HG2  GLU   5           HG2      GLU   5   2.547  -6.091 -22.284
    6    HG3  GLU   5           HG3      GLU   5   2.450  -4.477 -21.584

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   11
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   11
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   11
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.435 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.218  -0.956 -19.649
    6    HG3  MET   9           HG3      MET   9   3.655  -1.706 -19.972
    7    HE2  MET   9           HE1      MET   9   6.991  -0.480 -22.764
    8    HE1  MET   9           HE2      MET   9   6.629   0.059 -21.126
    9    HE3  MET   9           HE3      MET   9   5.809   0.807 -22.494

  No H/Q in entry =           9
  In of MODEL   11
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.477   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.668   0.277 -14.898
    5   HG13  ILE  12          HG13      ILE  12   4.214  -0.542 -14.950
    6   HG21  ILE  12          HG21      ILE  12   5.632   1.621 -13.090
    7   HG23  ILE  12          HG22      ILE  12   6.264   2.527 -14.465
    8   HG22  ILE  12          HG23      ILE  12   6.299   0.765 -14.479
    9   HD12  ILE  12          HD11      ILE  12   2.826   0.661 -12.557
   10   HD11  ILE  12          HD12      ILE  12   4.517   0.189 -12.534
   11   HD13  ILE  12          HD13      ILE  12   3.270  -1.015 -12.833

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.811 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.821   3.926 -17.798
    5   HG13  ILE  13          HG13      ILE  13   5.633   4.715 -19.361
    6   HG22  ILE  13          HG21      ILE  13   5.826   7.358 -19.072
    7   HG21  ILE  13          HG22      ILE  13   6.388   7.566 -17.413
    8   HG23  ILE  13          HG23      ILE  13   4.750   8.047 -17.856
    9   HD11  ILE  13          HD11      ILE  13   7.570   5.929 -17.438
   10   HD13  ILE  13          HD12      ILE  13   7.645   5.828 -19.196
   11   HD12  ILE  13          HD13      ILE  13   8.032   4.416 -18.214

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   11
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   11
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   11
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   11
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   11
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   11
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   11
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   11
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   11
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   11
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   11
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   11
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   11
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.028  -8.746
    4    HB3  HIS  52           HB3      HIS  52  -7.522   7.697  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.741   6.206  -9.277
    6    HD2  HIS  52           HD2      HIS  52  -6.581   5.097  -6.796
    7    HE1  HIS  52           HE1      HIS  52 -10.722   4.691  -7.507
    8    HE2  HIS  52           HE2      HIS  52  -8.810   4.010  -5.978

  No H/Q in entry =           8
  In of MODEL   11
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   11
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   11
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   11
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.904   3.586 -12.099
    4    HG1  THR  56           HG1      THR  56 -11.023   3.542  -9.423
    5   HG22  THR  56          HG21      THR  56 -12.944   2.784  -9.428
    6   HG21  THR  56          HG22      THR  56 -13.304   1.677 -10.753
    7   HG23  THR  56          HG23      THR  56 -13.809   3.363 -10.851

  No H/Q in entry =           7
  In of MODEL   11
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.633  -2.006 -10.394
    4   HG12  ILE  59          HG12      ILE  59 -11.033  -4.267  -8.972
    5   HG13  ILE  59          HG13      ILE  59  -9.457  -4.489  -9.715
    6   HG23  ILE  59          HG21      ILE  59 -11.623  -0.898 -10.061
    7   HG22  ILE  59          HG22      ILE  59 -11.681  -1.976  -8.691
    8   HG21  ILE  59          HG23      ILE  59 -12.597  -2.355 -10.141
    9   HD13  ILE  59          HD11      ILE  59  -8.852  -3.852  -7.558
   10   HD12  ILE  59          HD12      ILE  59 -10.215  -2.747  -7.401
   11   HD11  ILE  59          HD13      ILE  59  -8.832  -2.302  -8.399

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   11
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   11
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   11
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   11
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   11
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU  74           H        LEU  74  -3.310  -7.009 -13.419
    2    HA   LEU  74           HA       LEU  74  -3.945  -4.374 -12.837
    3    HB2  LEU  74           HB2      LEU  74  -5.564  -6.205 -12.878
    4    HB3  LEU  74           HB3      LEU  74  -4.804  -6.942 -11.473
    5    HG   LEU  74           HG       LEU  74  -5.379  -4.910 -10.149
    6   HD13  LEU  74          HD11      LEU  74  -5.574  -3.162 -11.701
    7   HD12  LEU  74          HD12      LEU  74  -7.258  -3.508 -11.310
    8   HD11  LEU  74          HD13      LEU  74  -6.557  -4.119 -12.807
    9   HD22  LEU  74          HD21      LEU  74  -7.534  -5.703  -9.691
   10   HD21  LEU  74          HD22      LEU  74  -6.898  -7.051 -10.617
   11   HD23  LEU  74          HD23      LEU  74  -7.937  -5.866 -11.399

  No H/Q in entry =          11
  In of MODEL   11
    1    H    VAL  75           H        VAL  75  -2.294  -6.751 -10.895
    2    HA   VAL  75           HA       VAL  75  -2.165  -5.212  -8.497
    3    HB   VAL  75           HB       VAL  75  -0.381  -7.468  -9.449
    4   HG13  VAL  75          HG11      VAL  75   0.858  -6.565  -7.714
    5   HG12  VAL  75          HG12      VAL  75  -0.219  -7.614  -6.793
    6   HG11  VAL  75          HG13      VAL  75  -0.560  -5.889  -6.914
    7   HG21  VAL  75          HG21      VAL  75  -2.888  -7.403  -7.728
    8   HG23  VAL  75          HG22      VAL  75  -1.828  -8.807  -7.855
    9   HG22  VAL  75          HG23      VAL  75  -2.682  -8.216  -9.279

  No H/Q in entry =           9
  In of MODEL   11
    1    H    HIS  76           H        HIS  76   0.136  -5.642 -11.312
    2    HA   HIS  76           HA       HIS  76   2.297  -4.170 -10.330
    3    HB2  HIS  76           HB2      HIS  76   2.243  -5.486 -12.481
    4    HB3  HIS  76           HB3      HIS  76   1.362  -4.140 -13.205
    5    HD1  HIS  76           HD1      HIS  76   4.022  -3.469 -10.661
    6    HD2  HIS  76           HD2      HIS  76   3.615  -3.388 -14.808
    7    HE1  HIS  76           HE1      HIS  76   6.060  -2.262 -11.557

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ALA  77           H        ALA  77  -0.582  -3.062 -12.092
    2    HA   ALA  77           HA       ALA  77   0.172  -0.306 -12.085
    3    HB2  ALA  77           HB1      ALA  77  -2.360  -1.824 -12.625
    4    HB1  ALA  77           HB2      ALA  77  -1.422  -0.798 -13.709
    5    HB3  ALA  77           HB3      ALA  77  -2.422  -0.069 -12.453

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLN  78           H        GLN  78  -1.834  -2.324  -9.966
    2    HA   GLN  78           HA       GLN  78  -2.777  -0.224  -8.316
    3    HB2  GLN  78           HB2      GLN  78  -3.615  -2.655  -8.498
    4    HB3  GLN  78           HB3      GLN  78  -2.308  -3.055  -7.384
    5    HG2  GLN  78           HG2      GLN  78  -3.184  -1.415  -5.768
    6    HG3  GLN  78           HG3      GLN  78  -4.498  -1.025  -6.875
    7   HE21  GLN  78          HE21      GLN  78  -3.085  -4.200  -5.896
    8   HE22  GLN  78          HE22      GLN  78  -4.563  -4.858  -5.383

  No H/Q in entry =           8
  In of MODEL   11
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   11
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.315   0.892 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.968   2.520 -10.292
    5    HD1  HIS  80           HD1      HIS  80   5.423   2.777 -10.613
    6    HD2  HIS  80           HD2      HIS  80   4.376  -1.185  -9.851
    7    HE1  HIS  80           HE1      HIS  80   7.554   1.413 -10.842
    8    HE2  HIS  80           HE2      HIS  80   6.927  -1.007 -10.381

  No H/Q in entry =           8
  In of MODEL   11
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   11
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   11
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   11
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   11
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   11
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   11
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   11
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   11
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   11
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   11
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   11
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   11
    1    H    PHE   9           H        PHE   9 -21.253   0.633  -3.893
    2    HA   PHE   9           HA       PHE   9 -18.509   1.537  -4.574
    3    HB2  PHE   9           HB2      PHE   9 -20.299   2.447  -2.313
    4    HB3  PHE   9           HB3      PHE   9 -18.592   2.862  -2.462
    5    HD1  PHE   9           HD1      PHE   9 -21.962   3.496  -3.675
    6    HD2  PHE   9           HD2      PHE   9 -17.792   4.200  -4.421
    7    HE1  PHE   9           HE1      PHE   9 -22.551   5.345  -5.216
    8    HE2  PHE   9           HE2      PHE   9 -18.382   6.049  -5.966
    9    HZ   PHE   9           HZ       PHE   9 -20.762   6.622  -6.363

  No H/Q in entry =           9
  In of MODEL   11
    1    H    CYS  10           H        CYS  10 -16.856   0.917  -3.274
    2    HA   CYS  10           HA       CYS  10 -17.123  -0.767  -0.948
    3    HB2  CYS  10           HB2      CYS  10 -16.022  -2.707  -1.751
    4    HB3  CYS  10           HB3      CYS  10 -17.200  -2.323  -3.010

  No H/Q in entry =           4
  In of MODEL   11
    1    H    SER  11           H        SER  11 -14.397  -1.450  -0.420
    2    HA   SER  11           HA       SER  11 -13.454   1.207  -0.087
    3    HB2  SER  11           HB2      SER  11 -11.252  -0.091   0.542
    4    HB3  SER  11           HB3      SER  11 -12.651  -0.180   1.591
    5    HG   SER  11           HG       SER  11 -12.986  -2.198   1.002

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA  12           H        ALA  12 -12.770  -1.162  -2.707
    2    HA   ALA  12           HA       ALA  12 -10.925   0.882  -3.755
    3    HB2  ALA  12           HB1      ALA  12 -10.037  -1.609  -4.730
    4    HB1  ALA  12           HB2      ALA  12 -10.254  -1.818  -2.993
    5    HB3  ALA  12           HB3      ALA  12  -9.199  -0.543  -3.602

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  13           H        GLY  13 -12.972  -1.912  -4.405
    2    HA3  GLY  13           HA2      GLY  13 -14.751  -1.579  -6.064
    3    HA2  GLY  13           HA3      GLY  13 -13.546  -0.795  -7.078

  No H/Q in entry =           3
  In of MODEL   11
    1    H    MET  14           H        MET  14 -12.765  -3.770  -5.283
    2    HA   MET  14           HA       MET  14 -12.605  -5.098  -7.916
    3    HB2  MET  14           HB2      MET  14 -10.501  -4.790  -6.523
    4    HB3  MET  14           HB3      MET  14 -11.182  -5.977  -5.409
    5    HG2  MET  14           HG2      MET  14 -11.397  -7.584  -7.300
    6    HG3  MET  14           HG3      MET  14 -10.631  -6.405  -8.362
    7    HE2  MET  14           HE1      MET  14  -7.861  -7.975  -8.773
    8    HE1  MET  14           HE2      MET  14  -9.556  -8.444  -8.873
    9    HE3  MET  14           HE3      MET  14  -8.446  -9.384  -7.880

  No H/Q in entry =           9
  In of MODEL   11
    1    H    SER  15           H        SER  15 -12.871  -6.347  -4.600
    2    HA   SER  15           HA       SER  15 -14.118  -8.711  -5.191
    3    HB2  SER  15           HB2      SER  15 -13.437  -7.710  -2.888
    4    HB3  SER  15           HB3      SER  15 -15.108  -7.147  -2.838
    5    HG   SER  15           HG       SER  15 -15.643  -9.395  -3.405

  No H/Q in entry =           5
  In of MODEL   11
    1    H    THR  16           H        THR  16 -15.524  -5.517  -5.468
    2    HA   THR  16           HA       THR  16 -18.217  -6.714  -5.646
    3    HB   THR  16           HB       THR  16 -17.457  -3.798  -5.939
    4    HG1  THR  16           HG1      THR  16 -17.284  -5.307  -3.806
    5   HG22  THR  16          HG21      THR  16 -19.917  -3.664  -5.087
    6   HG21  THR  16          HG22      THR  16 -20.019  -5.343  -5.619
    7   HG23  THR  16          HG23      THR  16 -19.628  -4.073  -6.779

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   11
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   11
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   11
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   11
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   11
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   11
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   11
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   11
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   11
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   11
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   11
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   11
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   11
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   11
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   11
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   11
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   11
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   11
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   11
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   11
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   11
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   11
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   11
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   11
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   11
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   11
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   11
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   11
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   11
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   11
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   11
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   11
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   11
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   11
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   12
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.287 -14.281  -2.730
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.930  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.576 -11.559  -2.350
    6    HG3  GLU   5           HG3      GLU   5 -13.138 -11.873  -3.322

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   12
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   12
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   12
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.710  -8.428   1.548
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.706   1.337
    5    HG2  MET   9           HG2      MET   9 -14.272  -6.804  -0.974
    6    HG3  MET   9           HG3      MET   9 -13.806  -8.493  -0.782
    7    HE2  MET   9           HE1      MET   9 -17.864  -6.556  -1.163
    8    HE1  MET   9           HE2      MET   9 -16.312  -5.859  -0.709
    9    HE3  MET   9           HE3      MET   9 -17.304  -6.646   0.509

  No H/Q in entry =           9
  In of MODEL   12
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.383   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.236  -6.170   0.974
    5   HG13  ILE  12          HG13      ILE  12  -9.707  -5.433  -0.545
    6   HG23  ILE  12          HG21      ILE  12 -10.275  -2.966  -0.584
    7   HG22  ILE  12          HG22      ILE  12  -8.739  -2.609   0.209
    8   HG21  ILE  12          HG23      ILE  12 -10.261  -2.060   0.924
    9   HD11  ILE  12          HD11      ILE  12  -7.631  -3.972  -0.306
   10   HD13  ILE  12          HD12      ILE  12  -7.335  -5.679  -0.587
   11   HD12  ILE  12          HD13      ILE  12  -7.179  -5.015   1.033

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.235
    4   HG12  ILE  13          HG12      ILE  13 -13.493  -3.071   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.922  -3.525   3.578
    6   HG23  ILE  13          HG21      ILE  13 -13.785  -1.893   6.744
    7   HG22  ILE  13          HG22      ILE  13 -15.163  -1.826   5.644
    8   HG21  ILE  13          HG23      ILE  13 -13.847  -0.662   5.482
    9   HD12  ILE  13          HD11      ILE  13 -14.940  -1.379   2.012
   10   HD11  ILE  13          HD12      ILE  13 -14.208  -0.624   3.421
   11   HD13  ILE  13          HD13      ILE  13 -15.795  -1.376   3.552

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   12
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   12
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   12
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   12
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   12
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   12
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   12
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   12
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   12
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   12
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   12
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   12
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   12
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.934  -6.673  10.551
    4    HB3  HIS  52           HB3      HIS  52  -1.120  -7.734  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.218 -10.048  11.847
    6    HD2  HIS  52           HD2      HIS  52   1.285  -7.249   8.948
    7    HE1  HIS  52           HE1      HIS  52   2.432 -10.820  10.888
    8    HE2  HIS  52           HE2      HIS  52   3.097  -9.122   9.120

  No H/Q in entry =           8
  In of MODEL   12
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   12
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   12
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   12
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.219  10.983
    4    HG1  THR  56           HG1      THR  56  -0.736 -12.061  10.513
    5   HG21  THR  56          HG21      THR  56   0.964 -15.676   9.966
    6   HG23  THR  56          HG22      THR  56   0.872 -15.201  11.661
    7   HG22  THR  56          HG23      THR  56   1.844 -14.258  10.533

  No H/Q in entry =           7
  In of MODEL   12
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.915
    4   HG12  ILE  59          HG12      ILE  59   2.404 -16.233   3.454
    5   HG13  ILE  59          HG13      ILE  59   1.135 -15.361   2.610
    6   HG21  ILE  59          HG21      ILE  59   1.121 -16.027   6.797
    7   HG23  ILE  59          HG22      ILE  59   2.388 -15.064   6.085
    8   HG22  ILE  59          HG23      ILE  59   2.289 -16.780   5.726
    9   HD13  ILE  59          HD11      ILE  59   2.970 -13.849   2.701
   10   HD12  ILE  59          HD12      ILE  59   3.283 -14.225   4.396
   11   HD11  ILE  59          HD13      ILE  59   1.850 -13.301   3.948

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   12
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   12
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   12
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   12
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   12
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU  74           H        LEU  74  -4.299 -13.686  -2.339
    2    HA   LEU  74           HA       LEU  74  -3.895 -12.578   0.167
    3    HB2  LEU  74           HB2      LEU  74  -2.995 -14.725  -0.487
    4    HB3  LEU  74           HB3      LEU  74  -1.985 -13.974  -1.716
    5    HG   LEU  74           HG       LEU  74  -0.739 -12.782   0.055
    6   HD12  LEU  74          HD11      LEU  74  -1.177 -13.795   2.428
    7   HD11  LEU  74          HD12      LEU  74  -2.765 -14.194   1.778
    8   HD13  LEU  74          HD13      LEU  74  -2.237 -12.512   1.846
    9   HD21  LEU  74          HD21      LEU  74  -0.362 -15.303  -0.773
   10   HD23  LEU  74          HD22      LEU  74  -0.747 -15.658   0.902
   11   HD22  LEU  74          HD23      LEU  74   0.616 -14.613   0.520

  No H/Q in entry =          11
  In of MODEL   12
    1    H    VAL  75           H        VAL  75  -2.685 -11.579  -2.927
    2    HA   VAL  75           HA       VAL  75  -0.712  -9.759  -1.899
    3    HB   VAL  75           HB       VAL  75  -2.001  -9.866  -4.644
    4   HG12  VAL  75          HG11      VAL  75   0.437  -8.879  -5.098
    5   HG11  VAL  75          HG12      VAL  75   0.247  -8.311  -3.440
    6   HG13  VAL  75          HG13      VAL  75  -0.916  -7.832  -4.674
    7   HG22  VAL  75          HG21      VAL  75  -0.024 -11.195  -5.293
    8   HG21  VAL  75          HG22      VAL  75  -0.906 -12.007  -4.001
    9   HG23  VAL  75          HG23      VAL  75   0.575 -11.125  -3.635

  No H/Q in entry =           9
  In of MODEL   12
    1    H    HIS  76           H        HIS  76  -4.309  -9.339  -3.263
    2    HA   HIS  76           HA       HIS  76  -4.632  -6.568  -3.169
    3    HB2  HIS  76           HB2      HIS  76  -6.360  -8.130  -4.064
    4    HB3  HIS  76           HB3      HIS  76  -6.739  -8.624  -2.419
    5    HD1  HIS  76           HD1      HIS  76  -5.998  -4.999  -2.782
    6    HD2  HIS  76           HD2      HIS  76  -9.409  -7.418  -2.949
    7    HE1  HIS  76           HE1      HIS  76  -8.004  -3.439  -2.636

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ALA  77           H        ALA  77  -4.700  -8.943  -0.604
    2    HA   ALA  77           HA       ALA  77  -5.527  -7.032   1.419
    3    HB2  ALA  77           HB1      ALA  77  -4.807  -9.033   2.941
    4    HB1  ALA  77           HB2      ALA  77  -4.748  -9.931   1.425
    5    HB3  ALA  77           HB3      ALA  77  -6.258  -9.185   1.947

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLN  78           H        GLN  78  -2.501  -8.757   0.546
    2    HA   GLN  78           HA       GLN  78  -0.943  -7.691   2.639
    3    HB2  GLN  78           HB2      GLN  78  -0.391  -9.640   1.074
    4    HB3  GLN  78           HB3      GLN  78   0.111  -8.420  -0.095
    5    HG2  GLN  78           HG2      GLN  78   1.707  -7.508   1.549
    6    HG3  GLN  78           HG3      GLN  78   1.218  -8.741   2.708
    7   HE21  GLN  78          HE21      GLN  78   3.922  -8.629   1.859
    8   HE22  GLN  78          HE22      GLN  78   4.250  -9.983   0.890

  No H/Q in entry =           8
  In of MODEL   12
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   12
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.182
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.798   2.199
    5    HD1  HIS  80           HD1      HIS  80  -6.729  -0.971   1.160
    6    HD2  HIS  80           HD2      HIS  80  -5.021  -3.457  -1.718
    7    HE1  HIS  80           HE1      HIS  80  -7.600  -0.171  -1.087
    8    HE2  HIS  80           HE2      HIS  80  -6.565  -1.681  -2.851

  No H/Q in entry =           8
  In of MODEL   12
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   12
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   12
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   12
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   12
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   12
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   12
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   12
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.424 -20.432  -4.409
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.883  -3.474
    5    HG2  GLU   5           HG2      GLU   5  10.897 -19.847  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.486 -19.329  -2.391

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   12
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   12
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   12
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.037 -16.706   0.857
    4    HB3  MET   9           HB3      MET   9  13.729 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.341 -16.594   2.246
    6    HG3  MET   9           HG3      MET   9  11.581 -17.036   0.555
    7    HE2  MET   9           HE1      MET   9  12.615 -19.258   4.362
    8    HE1  MET   9           HE2      MET   9  12.260 -17.551   4.110
    9    HE3  MET   9           HE3      MET   9  13.887 -18.160   3.815

  No H/Q in entry =           9
  In of MODEL   12
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.312
    4   HG12  ILE  12          HG12      ILE  12  10.851 -11.553  -0.016
    5   HG13  ILE  12          HG13      ILE  12   9.646 -12.263   1.039
    6   HG22  ILE  12          HG21      ILE  12   9.517 -11.478   3.430
    7   HG21  ILE  12          HG22      ILE  12   9.728  -9.767   3.061
    8   HG23  ILE  12          HG23      ILE  12  10.862 -10.584   4.135
    9   HD11  ILE  12          HD11      ILE  12   8.794  -9.878   1.391
   10   HD13  ILE  12          HD12      ILE  12   8.542 -10.567  -0.203
   11   HD12  ILE  12          HD13      ILE  12   9.853  -9.426   0.063

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.104 -11.634   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.814 -12.623   4.654
    5   HG13  ILE  13          HG13      ILE  13  15.291 -13.528   4.960
    6   HG23  ILE  13          HG21      ILE  13  17.429 -10.511   5.407
    7   HG22  ILE  13          HG22      ILE  13  16.983 -11.968   6.295
    8   HG21  ILE  13          HG23      ILE  13  16.139 -10.451   6.608
    9   HD12  ILE  13          HD11      ILE  13  13.516 -13.066   6.904
   10   HD11  ILE  13          HD12      ILE  13  14.418 -11.558   7.031
   11   HD13  ILE  13          HD13      ILE  13  15.248 -13.101   7.230

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   12
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   12
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   12
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   12
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   12
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   12
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   12
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   12
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   12
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   12
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   12
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   12
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   12
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.298  -1.676  -5.694
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.637
    5    HD1  HIS  52           HD1      HIS  52  17.481  -1.991  -9.286
    6    HD2  HIS  52           HD2      HIS  52  14.033  -0.974  -7.175
    7    HE1  HIS  52           HE1      HIS  52  15.827  -1.120 -10.994
    8    HE2  HIS  52           HE2      HIS  52  13.719  -0.494  -9.722

  No H/Q in entry =           8
  In of MODEL   12
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   12
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   12
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   12
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.063
    4    HG1  THR  56           HG1      THR  56  16.954  -4.282 -10.372
    5   HG21  THR  56          HG21      THR  56  16.281  -5.080 -14.267
    6   HG23  THR  56          HG22      THR  56  17.774  -4.187 -13.983
    7   HG22  THR  56          HG23      THR  56  16.222  -3.458 -13.578

  No H/Q in entry =           7
  In of MODEL   12
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.840  -7.161 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.894  -7.001 -14.833
    5   HG13  ILE  59          HG13      ILE  59   9.524  -7.868 -13.351
    6   HG21  ILE  59          HG21      ILE  59  13.403  -6.460 -14.323
    7   HG23  ILE  59          HG22      ILE  59  12.111  -5.313 -14.084
    8   HG22  ILE  59          HG23      ILE  59  12.068  -6.404 -15.460
    9   HD13  ILE  59          HD11      ILE  59   8.643  -5.680 -13.029
   10   HD12  ILE  59          HD12      ILE  59  10.102  -4.926 -13.672
   11   HD11  ILE  59          HD13      ILE  59  10.142  -5.725 -12.101

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   12
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   12
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   12
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   12
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   12
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU  74           H        LEU  74   7.008 -13.169  -8.613
    2    HA   LEU  74           HA       LEU  74   8.957 -11.248  -8.130
    3    HB2  LEU  74           HB2      LEU  74   8.332 -11.957 -10.358
    4    HB3  LEU  74           HB3      LEU  74   6.699 -11.339 -10.141
    5    HG   LEU  74           HG       LEU  74   7.610  -9.046  -9.953
    6   HD12  LEU  74          HD11      LEU  74  10.075  -8.885 -10.812
    7   HD11  LEU  74          HD12      LEU  74  10.199 -10.555 -10.264
    8   HD13  LEU  74          HD13      LEU  74   9.797  -9.277  -9.117
    9   HD21  LEU  74          HD21      LEU  74   7.083 -10.406 -12.202
   10   HD23  LEU  74          HD22      LEU  74   8.800 -10.163 -12.467
   11   HD22  LEU  74          HD23      LEU  74   7.743  -8.773 -12.256

  No H/Q in entry =          11
  In of MODEL   12
    1    H    VAL  75           H        VAL  75   5.492 -11.051  -7.854
    2    HA   VAL  75           HA       VAL  75   5.348  -8.248  -7.350
    3    HB   VAL  75           HB       VAL  75   3.430 -10.466  -6.573
    4   HG12  VAL  75          HG11      VAL  75   1.843  -8.354  -6.781
    5   HG11  VAL  75          HG12      VAL  75   3.323  -7.476  -6.398
    6   HG13  VAL  75          HG13      VAL  75   2.702  -8.687  -5.278
    7   HG22  VAL  75          HG21      VAL  75   2.207  -9.780  -8.619
    8   HG21  VAL  75          HG22      VAL  75   3.836 -10.324  -9.015
    9   HG23  VAL  75          HG23      VAL  75   3.470  -8.601  -8.973

  No H/Q in entry =           9
  In of MODEL   12
    1    H    HIS  76           H        HIS  76   5.553 -11.174  -5.150
    2    HA   HIS  76           HA       HIS  76   5.235  -9.880  -2.690
    3    HB2  HIS  76           HB2      HIS  76   5.448 -12.405  -3.184
    4    HB3  HIS  76           HB3      HIS  76   7.189 -12.139  -3.069
    5    HD1  HIS  76           HD1      HIS  76   7.897 -12.850  -0.787
    6    HD2  HIS  76           HD2      HIS  76   4.291 -10.759  -0.684
    7    HE1  HIS  76           HE1      HIS  76   7.272 -12.619   1.656

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ALA  77           H        ALA  77   8.178 -10.441  -4.606
    2    HA   ALA  77           HA       ALA  77   9.945  -9.150  -2.770
    3    HB3  ALA  77           HB1      ALA  77  11.377  -8.986  -4.967
    4    HB2  ALA  77           HB2      ALA  77  10.124 -10.034  -5.630
    5    HB1  ALA  77           HB3      ALA  77  11.069 -10.564  -4.239

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLN  78           H        GLN  78   8.172  -8.075  -5.655
    2    HA   GLN  78           HA       GLN  78   9.302  -5.481  -5.780
    3    HB2  GLN  78           HB2      GLN  78   7.923  -6.722  -7.557
    4    HB3  GLN  78           HB3      GLN  78   6.503  -6.198  -6.653
    5    HG2  GLN  78           HG2      GLN  78   7.217  -3.853  -6.885
    6    HG3  GLN  78           HG3      GLN  78   8.634  -4.372  -7.795
    7   HE21  GLN  78          HE21      GLN  78   6.756  -2.631  -9.013
    8   HE22  GLN  78          HE22      GLN  78   5.935  -3.477 -10.235

  No H/Q in entry =           8
  In of MODEL   12
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   12
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.176  -7.448  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.035  -6.563   0.743
    5    HD1  HIS  80           HD1      HIS  80   9.392  -7.083   3.091
    6    HD2  HIS  80           HD2      HIS  80   6.437  -8.251   0.392
    7    HE1  HIS  80           HE1      HIS  80   7.605  -8.274   4.450
    8    HE2  HIS  80           HE2      HIS  80   5.798  -8.990   2.813

  No H/Q in entry =           8
  In of MODEL   12
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   12
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   12
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   12
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   12
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   12
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   12
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   12
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.105  -6.382 -21.732
    4    HB3  GLU   5           HB3      GLU   5   0.420  -5.149 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.483  -4.496 -21.793
    6    HG3  GLU   5           HG3      GLU   5   2.165  -5.681 -20.529

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   12
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   12
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   12
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.435 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.216  -0.958 -19.647
    6    HG3  MET   9           HG3      MET   9   3.653  -1.706 -19.975
    7    HE2  MET   9           HE1      MET   9   6.982  -0.470 -22.786
    8    HE1  MET   9           HE2      MET   9   6.668   0.015 -21.122
    9    HE3  MET   9           HE3      MET   9   5.820   0.817 -22.441

  No H/Q in entry =           9
  In of MODEL   12
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.475   1.686 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.663   0.282 -14.877
    5   HG13  ILE  12          HG13      ILE  12   4.206  -0.541 -14.962
    6   HG22  ILE  12          HG21      ILE  12   6.298   0.762 -14.474
    7   HG21  ILE  12          HG22      ILE  12   5.641   1.642 -13.093
    8   HG23  ILE  12          HG23      ILE  12   6.264   2.525 -14.485
    9   HD11  ILE  12          HD11      ILE  12   4.534   0.171 -12.534
   10   HD13  ILE  12          HD12      ILE  12   3.287  -1.029 -12.825
   11   HD12  ILE  12          HD13      ILE  12   2.846   0.653 -12.560

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.813 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.822   3.927 -17.792
    5   HG13  ILE  13          HG13      ILE  13   5.623   4.707 -19.358
    6   HG23  ILE  13          HG21      ILE  13   4.730   8.035 -17.945
    7   HG22  ILE  13          HG22      ILE  13   5.916   7.331 -19.044
    8   HG21  ILE  13          HG23      ILE  13   6.333   7.600 -17.353
    9   HD12  ILE  13          HD11      ILE  13   8.035   4.420 -18.244
   10   HD11  ILE  13          HD12      ILE  13   7.570   5.919 -17.442
   11   HD13  ILE  13          HD13      ILE  13   7.630   5.843 -19.202

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   12
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   12
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   12
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   12
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   12
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   12
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   12
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   12
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   12
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   12
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   12
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   12
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   12
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.022  -8.742
    4    HB3  HIS  52           HB3      HIS  52  -7.515   7.700  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.750   6.249  -9.268
    6    HD2  HIS  52           HD2      HIS  52  -6.594   5.065  -6.816
    7    HE1  HIS  52           HE1      HIS  52 -10.745   4.731  -7.509
    8    HE2  HIS  52           HE2      HIS  52  -8.835   4.003  -5.998

  No H/Q in entry =           8
  In of MODEL   12
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   12
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   12
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   12
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.905   3.585 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.200   4.235 -10.811
    5   HG21  THR  56          HG21      THR  56 -13.302   1.672 -10.727
    6   HG23  THR  56          HG22      THR  56 -13.815   3.353 -10.857
    7   HG22  THR  56          HG23      THR  56 -12.935   2.810  -9.431

  No H/Q in entry =           7
  In of MODEL   12
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.671  -1.964 -10.407
    4   HG12  ILE  59          HG12      ILE  59 -10.922  -4.298  -8.967
    5   HG13  ILE  59          HG13      ILE  59  -9.363  -4.448  -9.761
    6   HG23  ILE  59          HG21      ILE  59 -11.946  -1.134 -10.324
    7   HG22  ILE  59          HG22      ILE  59 -11.491  -1.665  -8.726
    8   HG21  ILE  59          HG23      ILE  59 -12.544  -2.666  -9.712
    9   HD13  ILE  59          HD11      ILE  59  -8.785  -3.822  -7.569
   10   HD12  ILE  59          HD12      ILE  59 -10.120  -2.677  -7.454
   11   HD11  ILE  59          HD13      ILE  59  -8.721  -2.300  -8.458

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   12
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   12
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   12
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   12
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   12
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU  74           H        LEU  74  -3.314  -7.010 -13.425
    2    HA   LEU  74           HA       LEU  74  -3.939  -4.373 -12.843
    3    HB2  LEU  74           HB2      LEU  74  -5.597  -6.138 -12.891
    4    HB3  LEU  74           HB3      LEU  74  -4.818  -6.966 -11.549
    5    HG   LEU  74           HG       LEU  74  -5.341  -5.043 -10.081
    6   HD12  LEU  74          HD11      LEU  74  -7.149  -3.466 -11.120
    7   HD11  LEU  74          HD12      LEU  74  -6.473  -3.984 -12.664
    8   HD13  LEU  74          HD13      LEU  74  -5.452  -3.161 -11.486
    9   HD21  LEU  74          HD21      LEU  74  -6.966  -7.072 -10.738
   10   HD23  LEU  74          HD22      LEU  74  -7.943  -5.767 -11.387
   11   HD22  LEU  74          HD23      LEU  74  -7.512  -5.772  -9.682

  No H/Q in entry =          11
  In of MODEL   12
    1    H    VAL  75           H        VAL  75  -2.314  -6.761 -10.905
    2    HA   VAL  75           HA       VAL  75  -2.190  -5.236  -8.498
    3    HB   VAL  75           HB       VAL  75  -0.394  -7.487  -9.441
    4   HG12  VAL  75          HG11      VAL  75  -0.274  -7.688  -6.804
    5   HG11  VAL  75          HG12      VAL  75  -0.671  -5.972  -6.867
    6   HG13  VAL  75          HG13      VAL  75   0.785  -6.569  -7.661
    7   HG22  VAL  75          HG21      VAL  75  -1.868  -8.916  -8.057
    8   HG21  VAL  75          HG22      VAL  75  -2.800  -8.113  -9.321
    9   HG23  VAL  75          HG23      VAL  75  -2.860  -7.512  -7.666

  No H/Q in entry =           9
  In of MODEL   12
    1    H    HIS  76           H        HIS  76   0.122  -5.660 -11.305
    2    HA   HIS  76           HA       HIS  76   2.290  -4.217 -10.285
    3    HB2  HIS  76           HB2      HIS  76   2.122  -5.539 -12.491
    4    HB3  HIS  76           HB3      HIS  76   1.466  -4.052 -13.177
    5    HD1  HIS  76           HD1      HIS  76   3.325  -2.919 -14.390
    6    HD2  HIS  76           HD2      HIS  76   4.612  -4.499 -10.754
    7    HE1  HIS  76           HE1      HIS  76   5.747  -2.229 -14.126

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ALA  77           H        ALA  77  -0.554  -3.077 -12.090
    2    HA   ALA  77           HA       ALA  77   0.210  -0.326 -12.081
    3    HB3  ALA  77           HB1      ALA  77  -2.380  -0.083 -12.466
    4    HB2  ALA  77           HB2      ALA  77  -2.321  -1.836 -12.645
    5    HB1  ALA  77           HB3      ALA  77  -1.374  -0.809 -13.721

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLN  78           H        GLN  78  -1.820  -2.326  -9.967
    2    HA   GLN  78           HA       GLN  78  -2.767  -0.212  -8.335
    3    HB2  GLN  78           HB2      GLN  78  -3.635  -2.623  -8.503
    4    HB3  GLN  78           HB3      GLN  78  -2.319  -3.050  -7.410
    5    HG2  GLN  78           HG2      GLN  78  -3.150  -1.411  -5.770
    6    HG3  GLN  78           HG3      GLN  78  -4.475  -0.996  -6.855
    7   HE21  GLN  78          HE21      GLN  78  -5.046  -2.033  -4.273
    8   HE22  GLN  78          HE22      GLN  78  -5.695  -3.592  -4.441

  No H/Q in entry =           8
  In of MODEL   12
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   12
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.310   0.898 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.976   2.521 -10.290
    5    HD1  HIS  80           HD1      HIS  80   5.427   2.755 -10.641
    6    HD2  HIS  80           HD2      HIS  80   4.362  -1.192  -9.826
    7    HE1  HIS  80           HE1      HIS  80   7.548   1.376 -10.865
    8    HE2  HIS  80           HE2      HIS  80   6.910  -1.034 -10.372

  No H/Q in entry =           8
  In of MODEL   12
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   12
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   12
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   12
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   12
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   12
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   12
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   12
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   12
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   12
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   12
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   12
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   12
    1    H    PHE   9           H        PHE   9 -21.283   0.634  -3.910
    2    HA   PHE   9           HA       PHE   9 -18.521   1.522  -4.534
    3    HB2  PHE   9           HB2      PHE   9 -20.345   2.443  -2.305
    4    HB3  PHE   9           HB3      PHE   9 -18.636   2.856  -2.434
    5    HD1  PHE   9           HD1      PHE   9 -21.989   3.500  -3.680
    6    HD2  PHE   9           HD2      PHE   9 -17.810   4.178  -4.396
    7    HE1  PHE   9           HE1      PHE   9 -22.556   5.346  -5.233
    8    HE2  PHE   9           HE2      PHE   9 -18.377   6.025  -5.953
    9    HZ   PHE   9           HZ       PHE   9 -20.751   6.609  -6.371

  No H/Q in entry =           9
  In of MODEL   12
    1    H    CYS  10           H        CYS  10 -16.926   0.902  -3.221
    2    HA   CYS  10           HA       CYS  10 -17.189  -0.752  -0.878
    3    HB2  CYS  10           HB2      CYS  10 -16.134  -2.720  -1.653
    4    HB3  CYS  10           HB3      CYS  10 -17.286  -2.330  -2.935

  No H/Q in entry =           4
  In of MODEL   12
    1    H    SER  11           H        SER  11 -14.478  -1.456  -0.354
    2    HA   SER  11           HA       SER  11 -13.455   1.130   0.022
    3    HB2  SER  11           HB2      SER  11 -12.554  -0.479   1.470
    4    HB3  SER  11           HB3      SER  11 -12.169  -1.582   0.166
    5    HG   SER  11           HG       SER  11 -10.374  -0.527  -0.203

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA  12           H        ALA  12 -12.219  -1.366  -2.348
    2    HA   ALA  12           HA       ALA  12 -10.842   0.881  -3.662
    3    HB3  ALA  12           HB1      ALA  12  -9.091  -0.518  -3.615
    4    HB2  ALA  12           HB2      ALA  12  -9.948  -1.549  -4.761
    5    HB1  ALA  12           HB3      ALA  12 -10.099  -1.841  -3.029

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  13           H        GLY  13 -13.004  -1.836  -4.237
    2    HA3  GLY  13           HA2      GLY  13 -14.807  -1.502  -5.845
    3    HA2  GLY  13           HA3      GLY  13 -13.640  -0.690  -6.881

  No H/Q in entry =           3
  In of MODEL   12
    1    H    MET  14           H        MET  14 -12.730  -3.657  -5.193
    2    HA   MET  14           HA       MET  14 -12.588  -4.950  -7.839
    3    HB2  MET  14           HB2      MET  14 -10.480  -4.676  -6.511
    4    HB3  MET  14           HB3      MET  14 -11.158  -5.778  -5.311
    5    HG2  MET  14           HG2      MET  14 -11.381  -7.529  -7.021
    6    HG3  MET  14           HG3      MET  14 -10.750  -6.431  -8.246
    7    HE2  MET  14           HE1      MET  14  -8.346  -7.985  -8.894
    8    HE1  MET  14           HE2      MET  14  -9.733  -8.876  -8.274
    9    HE3  MET  14           HE3      MET  14  -8.127  -9.202  -7.630

  No H/Q in entry =           9
  In of MODEL   12
    1    H    SER  15           H        SER  15 -12.859  -6.285  -4.551
    2    HA   SER  15           HA       SER  15 -14.077  -8.644  -5.204
    3    HB2  SER  15           HB2      SER  15 -13.427  -7.713  -2.876
    4    HB3  SER  15           HB3      SER  15 -15.089  -7.125  -2.826
    5    HG   SER  15           HG       SER  15 -14.091  -9.698  -2.721

  No H/Q in entry =           5
  In of MODEL   12
    1    H    THR  16           H        THR  16 -15.519  -5.474  -5.463
    2    HA   THR  16           HA       THR  16 -18.204  -6.685  -5.637
    3    HB   THR  16           HB       THR  16 -17.447  -3.769  -5.944
    4    HG1  THR  16           HG1      THR  16 -18.650  -4.322  -3.644
    5   HG21  THR  16          HG21      THR  16 -20.014  -5.309  -5.624
    6   HG23  THR  16          HG22      THR  16 -19.614  -4.055  -6.799
    7   HG22  THR  16          HG23      THR  16 -19.910  -3.622  -5.115

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   12
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   12
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   12
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   12
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   12
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   12
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   12
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   12
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   12
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   12
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   12
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   12
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   12
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   12
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   12
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   12
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   12
    1    HA   PRO  58           HA       PRO  58 -23.314  -4.438   3.145
    2    HB2  PRO  58           HB2      PRO  58 -22.051  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.561  -6.669   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.015  -5.616  -0.005
    7    HD3  PRO  58           HD3      PRO  58 -22.790  -5.739  -0.010

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   12
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   12
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   12
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   12
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   12
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   12
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   12
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   12
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   12
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   12
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   12
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   12
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   12
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   12
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   12
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   12
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   12
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   13
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.277 -14.263  -2.744
    4    HB3  GLU   5           HB3      GLU   5 -14.684 -13.953  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -13.236 -11.628  -2.947
    6    HG3  GLU   5           HG3      GLU   5 -14.333 -12.574  -3.952

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   13
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   13
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   13
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.702  -8.440   1.530
    4    HB3  MET   9           HB3      MET   9 -15.032  -6.716   1.358
    5    HG2  MET   9           HG2      MET   9 -14.292  -6.758  -0.959
    6    HG3  MET   9           HG3      MET   9 -13.805  -8.446  -0.806
    7    HE3  MET   9           HE1      MET   9 -17.341  -6.662   0.519
    8    HE2  MET   9           HE2      MET   9 -17.866  -6.538  -1.157
    9    HE1  MET   9           HE3      MET   9 -16.329  -5.839  -0.672

  No H/Q in entry =           9
  In of MODEL   13
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.931  -4.433   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.103  -6.119   0.949
    5   HG13  ILE  12          HG13      ILE  12  -9.685  -5.422  -0.550
    6   HG23  ILE  12          HG21      ILE  12 -10.309  -2.959  -0.572
    7   HG22  ILE  12          HG22      ILE  12  -8.819  -2.519   0.265
    8   HG21  ILE  12          HG23      ILE  12 -10.389  -2.084   0.951
    9   HD11  ILE  12          HD11      ILE  12  -7.713  -3.836  -0.437
   10   HD13  ILE  12          HD12      ILE  12  -7.290  -5.525  -0.653
   11   HD12  ILE  12          HD13      ILE  12  -7.143  -4.778   0.931

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.493  -3.062   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.920  -3.526   3.576
    6   HG21  ILE  13          HG21      ILE  13 -13.891  -0.662   5.450
    7   HG23  ILE  13          HG22      ILE  13 -13.740  -1.856   6.740
    8   HG22  ILE  13          HG23      ILE  13 -15.158  -1.867   5.691
    9   HD12  ILE  13          HD11      ILE  13 -14.959  -1.378   2.020
   10   HD11  ILE  13          HD12      ILE  13 -14.212  -0.621   3.422
   11   HD13  ILE  13          HD13      ILE  13 -15.797  -1.375   3.570

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   13
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   13
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   13
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   13
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   13
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   13
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   13
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   13
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   13
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   13
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   13
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   13
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   13
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.946  -6.668  10.566
    4    HB3  HIS  52           HB3      HIS  52  -1.110  -7.751  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.187 -10.115  11.712
    6    HD2  HIS  52           HD2      HIS  52   1.323  -7.138   9.025
    7    HE1  HIS  52           HE1      HIS  52   2.414 -10.836  10.746
    8    HE2  HIS  52           HE2      HIS  52   3.122  -9.031   9.106

  No H/Q in entry =           8
  In of MODEL   13
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   13
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   13
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   13
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.221  10.983
    4    HG1  THR  56           HG1      THR  56   0.912 -12.564  11.024
    5   HG23  THR  56          HG21      THR  56   0.899 -15.181  11.667
    6   HG22  THR  56          HG22      THR  56   1.850 -14.269  10.496
    7   HG21  THR  56          HG23      THR  56   0.937 -15.685   9.978

  No H/Q in entry =           7
  In of MODEL   13
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.629   4.890
    4   HG12  ILE  59          HG12      ILE  59   2.428 -16.258   3.498
    5   HG13  ILE  59          HG13      ILE  59   1.173 -15.404   2.613
    6   HG22  ILE  59          HG21      ILE  59   2.517 -16.474   5.645
    7   HG21  ILE  59          HG22      ILE  59   1.109 -16.420   6.671
    8   HG23  ILE  59          HG23      ILE  59   2.043 -14.959   6.392
    9   HD12  ILE  59          HD11      ILE  59   3.285 -14.228   4.418
   10   HD11  ILE  59          HD12      ILE  59   1.861 -13.316   3.917
   11   HD13  ILE  59          HD13      ILE  59   3.009 -13.891   2.709

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   13
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   13
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   13
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   13
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   13
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU  74           H        LEU  74  -4.304 -13.683  -2.353
    2    HA   LEU  74           HA       LEU  74  -3.879 -12.598   0.160
    3    HB2  LEU  74           HB2      LEU  74  -2.992 -14.743  -0.519
    4    HB3  LEU  74           HB3      LEU  74  -1.989 -13.985  -1.750
    5    HG   LEU  74           HG       LEU  74  -0.733 -12.805   0.030
    6   HD13  LEU  74          HD11      LEU  74  -2.230 -12.582   1.829
    7   HD12  LEU  74          HD12      LEU  74  -1.135 -13.844   2.391
    8   HD11  LEU  74          HD13      LEU  74  -2.723 -14.274   1.756
    9   HD23  LEU  74          HD21      LEU  74  -0.761 -15.736   0.760
   10   HD22  LEU  74          HD22      LEU  74   0.611 -14.667   0.531
   11   HD21  LEU  74          HD23      LEU  74  -0.290 -15.244  -0.865

  No H/Q in entry =          11
  In of MODEL   13
    1    H    VAL  75           H        VAL  75  -2.641 -11.601  -2.933
    2    HA   VAL  75           HA       VAL  75  -0.678  -9.789  -1.884
    3    HB   VAL  75           HB       VAL  75  -1.953  -9.885  -4.636
    4   HG11  VAL  75          HG11      VAL  75   0.298  -8.337  -3.420
    5   HG13  VAL  75          HG12      VAL  75  -0.879  -7.837  -4.634
    6   HG12  VAL  75          HG13      VAL  75   0.469  -8.877  -5.089
    7   HG21  VAL  75          HG21      VAL  75   0.415 -11.316  -3.409
    8   HG23  VAL  75          HG22      VAL  75   0.315 -11.045  -5.149
    9   HG22  VAL  75          HG23      VAL  75  -0.923 -11.997  -4.334

  No H/Q in entry =           9
  In of MODEL   13
    1    H    HIS  76           H        HIS  76  -4.270  -9.351  -3.249
    2    HA   HIS  76           HA       HIS  76  -4.576  -6.576  -3.153
    3    HB2  HIS  76           HB2      HIS  76  -6.305  -8.152  -4.053
    4    HB3  HIS  76           HB3      HIS  76  -6.710  -8.603  -2.402
    5    HD1  HIS  76           HD1      HIS  76  -5.916  -4.994  -2.913
    6    HD2  HIS  76           HD2      HIS  76  -9.355  -7.379  -2.915
    7    HE1  HIS  76           HE1      HIS  76  -7.903  -3.405  -2.806

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ALA  77           H        ALA  77  -4.686  -8.960  -0.598
    2    HA   ALA  77           HA       ALA  77  -5.517  -7.061   1.430
    3    HB3  ALA  77           HB1      ALA  77  -6.237  -9.228   1.921
    4    HB2  ALA  77           HB2      ALA  77  -4.818  -9.054   2.953
    5    HB1  ALA  77           HB3      ALA  77  -4.703  -9.958   1.443

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLN  78           H        GLN  78  -2.483  -8.753   0.546
    2    HA   GLN  78           HA       GLN  78  -0.934  -7.680   2.651
    3    HB2  GLN  78           HB2      GLN  78  -0.389  -9.633   1.062
    4    HB3  GLN  78           HB3      GLN  78   0.158  -8.397  -0.069
    5    HG2  GLN  78           HG2      GLN  78   1.750  -7.555   1.580
    6    HG3  GLN  78           HG3      GLN  78   1.174  -8.720   2.768
    7   HE21  GLN  78          HE21      GLN  78   2.233  -8.891  -0.693
    8   HE22  GLN  78          HE22      GLN  78   3.241 -10.236  -0.457

  No H/Q in entry =           8
  In of MODEL   13
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   13
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.182
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.798   2.199
    5    HD1  HIS  80           HD1      HIS  80  -7.049  -1.281   1.170
    6    HD2  HIS  80           HD2      HIS  80  -4.703  -3.148  -1.727
    7    HE1  HIS  80           HE1      HIS  80  -7.842  -0.397  -1.075
    8    HE2  HIS  80           HE2      HIS  80  -6.418  -1.530  -2.850

  No H/Q in entry =           8
  In of MODEL   13
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   13
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   13
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   13
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   13
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   13
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   13
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   13
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.411 -20.425  -4.401
    4    HB3  GLU   5           HB3      GLU   5  11.852 -20.886  -3.490
    5    HG2  GLU   5           HG2      GLU   5   9.800 -19.126  -2.193
    6    HG3  GLU   5           HG3      GLU   5   9.499 -20.860  -2.299

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   13
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   13
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   13
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.032 -16.709   0.853
    4    HB3  MET   9           HB3      MET   9  13.736 -16.162   2.504
    5    HG2  MET   9           HG2      MET   9  11.345 -16.587   2.258
    6    HG3  MET   9           HG3      MET   9  11.573 -17.035   0.567
    7    HE3  MET   9           HE1      MET   9  13.904 -18.173   3.817
    8    HE2  MET   9           HE2      MET   9  12.619 -19.240   4.377
    9    HE1  MET   9           HE3      MET   9  12.284 -17.530   4.113

  No H/Q in entry =           9
  In of MODEL   13
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.956   2.296
    4   HG12  ILE  12          HG12      ILE  12  10.818 -11.427  -0.037
    5   HG13  ILE  12          HG13      ILE  12   9.709 -12.304   0.998
    6   HG22  ILE  12          HG21      ILE  12   9.514 -11.474   3.427
    7   HG21  ILE  12          HG22      ILE  12   9.766  -9.759   3.102
    8   HG23  ILE  12          HG23      ILE  12  10.884 -10.632   4.148
    9   HD11  ILE  12          HD11      ILE  12   8.561 -10.155   1.496
   10   HD13  ILE  12          HD12      ILE  12   8.546 -10.539  -0.216
   11   HD12  ILE  12          HD13      ILE  12   9.676  -9.345   0.407

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.812 -12.621   4.660
    5   HG13  ILE  13          HG13      ILE  13  15.290 -13.528   4.961
    6   HG21  ILE  13          HG21      ILE  13  16.128 -10.505   6.638
    7   HG23  ILE  13          HG22      ILE  13  17.399 -10.457   5.416
    8   HG22  ILE  13          HG23      ILE  13  17.032 -11.968   6.248
    9   HD12  ILE  13          HD11      ILE  13  13.524 -13.069   6.911
   10   HD11  ILE  13          HD12      ILE  13  14.421 -11.557   7.034
   11   HD13  ILE  13          HD13      ILE  13  15.257 -13.096   7.232

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   13
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   13
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   13
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   13
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   13
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   13
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   13
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   13
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   13
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   13
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   13
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   13
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   13
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.316  -1.676  -5.684
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.657
    5    HD1  HIS  52           HD1      HIS  52  17.380  -2.103  -9.313
    6    HD2  HIS  52           HD2      HIS  52  14.070  -0.858  -7.106
    7    HE1  HIS  52           HE1      HIS  52  15.705  -1.200 -10.983
    8    HE2  HIS  52           HE2      HIS  52  13.681  -0.435  -9.654

  No H/Q in entry =           8
  In of MODEL   13
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   13
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   13
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   13
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.066
    4    HG1  THR  56           HG1      THR  56  16.810  -3.087 -11.702
    5   HG23  THR  56          HG21      THR  56  17.768  -4.158 -13.982
    6   HG22  THR  56          HG22      THR  56  16.193  -3.472 -13.586
    7   HG21  THR  56          HG23      THR  56  16.301  -5.095 -14.260

  No H/Q in entry =           7
  In of MODEL   13
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.799  -7.174 -12.516
    4   HG12  ILE  59          HG12      ILE  59   9.952  -6.961 -14.897
    5   HG13  ILE  59          HG13      ILE  59   9.513  -7.853 -13.449
    6   HG21  ILE  59          HG21      ILE  59  13.315  -6.745 -14.705
    7   HG23  ILE  59          HG22      ILE  59  12.619  -5.454 -13.761
    8   HG22  ILE  59          HG23      ILE  59  11.828  -5.981 -15.238
    9   HD12  ILE  59          HD11      ILE  59  10.116  -4.910 -13.694
   10   HD11  ILE  59          HD12      ILE  59  10.104  -5.736 -12.137
   11   HD13  ILE  59          HD13      ILE  59   8.636  -5.670 -13.110

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   13
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   13
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   13
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   13
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   13
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU  74           H        LEU  74   7.007 -13.182  -8.609
    2    HA   LEU  74           HA       LEU  74   8.951 -11.251  -8.160
    3    HB2  LEU  74           HB2      LEU  74   8.303 -11.976 -10.376
    4    HB3  LEU  74           HB3      LEU  74   6.671 -11.360 -10.145
    5    HG   LEU  74           HG       LEU  74   7.589  -9.062  -9.974
    6   HD13  LEU  74          HD11      LEU  74   9.788  -9.314  -9.179
    7   HD12  LEU  74          HD12      LEU  74  10.033  -8.895 -10.874
    8   HD11  LEU  74          HD13      LEU  74  10.172 -10.573 -10.351
    9   HD23  LEU  74          HD21      LEU  74   8.681 -10.284 -12.514
   10   HD22  LEU  74          HD22      LEU  74   7.776  -8.796 -12.304
   11   HD21  LEU  74          HD23      LEU  74   6.952 -10.345 -12.180

  No H/Q in entry =          11
  In of MODEL   13
    1    H    VAL  75           H        VAL  75   5.475 -11.035  -7.885
    2    HA   VAL  75           HA       VAL  75   5.358  -8.231  -7.369
    3    HB   VAL  75           HB       VAL  75   3.411 -10.434  -6.618
    4   HG11  VAL  75          HG11      VAL  75   3.320  -7.439  -6.454
    5   HG13  VAL  75          HG12      VAL  75   2.722  -8.636  -5.306
    6   HG12  VAL  75          HG13      VAL  75   1.836  -8.327  -6.799
    7   HG21  VAL  75          HG21      VAL  75   3.777  -8.715  -9.078
    8   HG23  VAL  75          HG22      VAL  75   2.197  -9.382  -8.672
    9   HG22  VAL  75          HG23      VAL  75   3.556 -10.461  -8.977

  No H/Q in entry =           9
  In of MODEL   13
    1    H    HIS  76           H        HIS  76   5.523 -11.173  -5.188
    2    HA   HIS  76           HA       HIS  76   5.218  -9.901  -2.717
    3    HB2  HIS  76           HB2      HIS  76   5.396 -12.410  -3.185
    4    HB3  HIS  76           HB3      HIS  76   7.146 -12.177  -3.172
    5    HD1  HIS  76           HD1      HIS  76   6.490 -13.882  -0.954
    6    HD2  HIS  76           HD2      HIS  76   5.895  -9.771  -0.601
    7    HE1  HIS  76           HE1      HIS  76   6.392 -13.383   1.526

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ALA  77           H        ALA  77   8.152 -10.442  -4.646
    2    HA   ALA  77           HA       ALA  77   9.910  -9.178  -2.782
    3    HB1  ALA  77           HB1      ALA  77  11.026 -10.591  -4.258
    4    HB3  ALA  77           HB2      ALA  77  11.371  -9.006  -4.948
    5    HB2  ALA  77           HB3      ALA  77  10.117 -10.020  -5.659

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLN  78           H        GLN  78   8.161  -8.073  -5.666
    2    HA   GLN  78           HA       GLN  78   9.307  -5.485  -5.769
    3    HB2  GLN  78           HB2      GLN  78   7.913  -6.729  -7.550
    4    HB3  GLN  78           HB3      GLN  78   6.504  -6.150  -6.662
    5    HG2  GLN  78           HG2      GLN  78   7.234  -3.841  -6.943
    6    HG3  GLN  78           HG3      GLN  78   8.707  -4.377  -7.748
    7   HE21  GLN  78          HE21      GLN  78   5.183  -5.129  -8.106
    8   HE22  GLN  78          HE22      GLN  78   5.177  -4.944  -9.794

  No H/Q in entry =           8
  In of MODEL   13
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   13
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.175  -7.449  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.036  -6.564   0.742
    5    HD1  HIS  80           HD1      HIS  80   9.587  -7.511   2.980
    6    HD2  HIS  80           HD2      HIS  80   6.245  -7.824   0.506
    7    HE1  HIS  80           HE1      HIS  80   7.757  -8.589   4.374
    8    HE2  HIS  80           HE2      HIS  80   5.714  -8.784   2.875

  No H/Q in entry =           8
  In of MODEL   13
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   13
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   13
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   13
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   13
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   13
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   13
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   13
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.110  -6.383 -21.726
    4    HB3  GLU   5           HB3      GLU   5   0.414  -5.153 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.181  -5.252 -20.533
    6    HG3  GLU   5           HG3      GLU   5   2.436  -6.425 -21.823

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   13
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   13
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   13
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.884   0.428 -20.999
    4    HB3  MET   9           HB3      MET   9   4.421   1.173 -20.555
    5    HG2  MET   9           HG2      MET   9   5.225  -0.947 -19.645
    6    HG3  MET   9           HG3      MET   9   3.667  -1.706 -19.970
    7    HE3  MET   9           HE1      MET   9   5.813   0.821 -22.474
    8    HE2  MET   9           HE2      MET   9   6.991  -0.455 -22.772
    9    HE1  MET   9           HE3      MET   9   6.651   0.053 -21.119

  No H/Q in entry =           9
  In of MODEL   13
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.459   1.676 -15.890
    4   HG12  ILE  12          HG12      ILE  12   2.641   0.310 -14.747
    5   HG13  ILE  12          HG13      ILE  12   4.152  -0.531 -15.021
    6   HG22  ILE  12          HG21      ILE  12   6.298   0.763 -14.470
    7   HG21  ILE  12          HG22      ILE  12   5.665   1.696 -13.113
    8   HG23  ILE  12          HG23      ILE  12   6.274   2.524 -14.545
    9   HD11  ILE  12          HD11      ILE  12   4.765  -0.082 -12.653
   10   HD13  ILE  12          HD12      ILE  12   3.289  -1.020 -12.797
   11   HD12  ILE  12          HD13      ILE  12   3.208   0.699 -12.433

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.812 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.826   3.928 -17.792
    5   HG13  ILE  13          HG13      ILE  13   5.625   4.707 -19.358
    6   HG21  ILE  13          HG21      ILE  13   6.370   7.577 -17.392
    7   HG23  ILE  13          HG22      ILE  13   4.742   8.042 -17.887
    8   HG22  ILE  13          HG23      ILE  13   5.857   7.349 -19.064
    9   HD12  ILE  13          HD11      ILE  13   8.038   4.425 -18.247
   10   HD11  ILE  13          HD12      ILE  13   7.570   5.921 -17.442
   11   HD13  ILE  13          HD13      ILE  13   7.628   5.849 -19.202

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   13
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   13
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   13
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   13
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   13
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   13
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   13
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   13
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   13
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   13
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   13
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   13
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   13
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.039  -8.752
    4    HB3  HIS  52           HB3      HIS  52  -7.533   7.691  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.718   6.106  -9.306
    6    HD2  HIS  52           HD2      HIS  52  -6.563   5.178  -6.745
    7    HE1  HIS  52           HE1      HIS  52 -10.674   4.603  -7.513
    8    HE2  HIS  52           HE2      HIS  52  -8.766   4.032  -5.935

  No H/Q in entry =           8
  In of MODEL   13
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   13
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   13
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   13
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.901   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -11.524   4.173  -9.596
    5   HG23  THR  56          HG21      THR  56 -13.821   3.356 -10.850
    6   HG22  THR  56          HG22      THR  56 -12.940   2.787  -9.433
    7   HG21  THR  56          HG23      THR  56 -13.297   1.675 -10.753

  No H/Q in entry =           7
  In of MODEL   13
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.638  -2.000 -10.396
    4   HG12  ILE  59          HG12      ILE  59 -11.021  -4.246  -8.943
    5   HG13  ILE  59          HG13      ILE  59  -9.473  -4.503  -9.732
    6   HG22  ILE  59          HG21      ILE  59 -11.643  -1.900  -8.701
    7   HG21  ILE  59          HG22      ILE  59 -12.585  -2.449 -10.062
    8   HG23  ILE  59          HG23      ILE  59 -11.715  -0.927 -10.158
    9   HD12  ILE  59          HD11      ILE  59 -10.125  -2.699  -7.426
   10   HD11  ILE  59          HD12      ILE  59  -8.741  -2.345  -8.458
   11   HD13  ILE  59          HD13      ILE  59  -8.816  -3.871  -7.580

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   13
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   13
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   13
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   13
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   13
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU  74           H        LEU  74  -3.301  -7.018 -13.430
    2    HA   LEU  74           HA       LEU  74  -3.962  -4.394 -12.832
    3    HB2  LEU  74           HB2      LEU  74  -5.595  -6.183 -12.887
    4    HB3  LEU  74           HB3      LEU  74  -4.803  -7.005 -11.549
    5    HG   LEU  74           HG       LEU  74  -5.347  -5.084 -10.077
    6   HD13  LEU  74          HD11      LEU  74  -5.503  -3.219 -11.498
    7   HD12  LEU  74          HD12      LEU  74  -7.189  -3.542 -11.098
    8   HD11  LEU  74          HD13      LEU  74  -6.536  -4.059 -12.652
    9   HD23  LEU  74          HD21      LEU  74  -7.909  -5.958 -11.426
   10   HD22  LEU  74          HD22      LEU  74  -7.569  -5.786  -9.713
   11   HD21  LEU  74          HD23      LEU  74  -6.892  -7.142 -10.607

  No H/Q in entry =          11
  In of MODEL   13
    1    H    VAL  75           H        VAL  75  -2.323  -6.778 -10.881
    2    HA   VAL  75           HA       VAL  75  -2.219  -5.236  -8.484
    3    HB   VAL  75           HB       VAL  75  -0.424  -7.498  -9.402
    4   HG11  VAL  75          HG11      VAL  75  -0.704  -5.966  -6.834
    5   HG13  VAL  75          HG12      VAL  75   0.759  -6.540  -7.634
    6   HG12  VAL  75          HG13      VAL  75  -0.279  -7.676  -6.773
    7   HG21  VAL  75          HG21      VAL  75  -3.052  -7.383  -7.905
    8   HG23  VAL  75          HG22      VAL  75  -1.947  -8.742  -7.694
    9   HG22  VAL  75          HG23      VAL  75  -2.615  -8.389  -9.286

  No H/Q in entry =           9
  In of MODEL   13
    1    H    HIS  76           H        HIS  76   0.122  -5.684 -11.264
    2    HA   HIS  76           HA       HIS  76   2.273  -4.216 -10.248
    3    HB2  HIS  76           HB2      HIS  76   2.216  -5.553 -12.405
    4    HB3  HIS  76           HB3      HIS  76   1.414  -4.167 -13.143
    5    HD1  HIS  76           HD1      HIS  76   4.125  -3.834 -10.541
    6    HD2  HIS  76           HD2      HIS  76   3.641  -3.290 -14.645
    7    HE1  HIS  76           HE1      HIS  76   6.210  -2.653 -11.358

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ALA  77           H        ALA  77  -0.573  -3.109 -12.070
    2    HA   ALA  77           HA       ALA  77   0.200  -0.361 -12.088
    3    HB1  ALA  77           HB1      ALA  77  -1.384  -0.875 -13.719
    4    HB2  ALA  77           HB2      ALA  77  -2.377  -0.098 -12.486
    5    HB3  ALA  77           HB3      ALA  77  -2.354  -1.856 -12.619

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLN  78           H        GLN  78  -1.825  -2.337  -9.952
    2    HA   GLN  78           HA       GLN  78  -2.759  -0.202  -8.335
    3    HB2  GLN  78           HB2      GLN  78  -3.625  -2.628  -8.499
    4    HB3  GLN  78           HB3      GLN  78  -2.337  -3.025  -7.362
    5    HG2  GLN  78           HG2      GLN  78  -3.214  -1.409  -5.758
    6    HG3  GLN  78           HG3      GLN  78  -4.465  -0.921  -6.898
    7   HE21  GLN  78          HE21      GLN  78  -3.242  -4.098  -5.667
    8   HE22  GLN  78          HE22      GLN  78  -4.787  -4.716  -5.331

  No H/Q in entry =           8
  In of MODEL   13
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   13
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.309   0.899 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.977   2.521 -10.290
    5    HD1  HIS  80           HD1      HIS  80   5.322   2.649 -11.050
    6    HD2  HIS  80           HD2      HIS  80   4.465  -1.090  -9.420
    7    HE1  HIS  80           HE1      HIS  80   7.471   1.301 -11.173
    8    HE2  HIS  80           HE2      HIS  80   6.960  -0.983 -10.182

  No H/Q in entry =           8
  In of MODEL   13
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   13
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   13
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   13
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   13
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   13
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   13
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   13
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   13
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   13
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   13
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   13
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   13
    1    H    PHE   9           H        PHE   9 -21.277   0.633  -3.914
    2    HA   PHE   9           HA       PHE   9 -18.522   1.524  -4.566
    3    HB2  PHE   9           HB2      PHE   9 -20.320   2.422  -2.307
    4    HB3  PHE   9           HB3      PHE   9 -18.611   2.834  -2.447
    5    HD1  PHE   9           HD1      PHE   9 -21.976   3.465  -3.692
    6    HD2  PHE   9           HD2      PHE   9 -17.801   4.207  -4.366
    7    HE1  PHE   9           HE1      PHE   9 -22.556   5.328  -5.220
    8    HE2  PHE   9           HE2      PHE   9 -18.381   6.071  -5.898
    9    HZ   PHE   9           HZ       PHE   9 -20.759   6.632  -6.324

  No H/Q in entry =           9
  In of MODEL   13
    1    H    CYS  10           H        CYS  10 -16.906   0.869  -3.313
    2    HA   CYS  10           HA       CYS  10 -17.186  -0.895  -1.027
    3    HB2  CYS  10           HB2      CYS  10 -15.990  -2.745  -1.880
    4    HB3  CYS  10           HB3      CYS  10 -17.102  -2.332  -3.188

  No H/Q in entry =           4
  In of MODEL   13
    1    H    SER  11           H        SER  11 -14.205  -1.581  -0.879
    2    HA   SER  11           HA       SER  11 -13.477   1.128  -0.175
    3    HB2  SER  11           HB2      SER  11 -11.403  -1.002  -0.291
    4    HB3  SER  11           HB3      SER  11 -11.681   0.217   0.936
    5    HG   SER  11           HG       SER  11 -12.454  -1.540   1.895

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA  12           H        ALA  12 -12.108  -1.276  -2.500
    2    HA   ALA  12           HA       ALA  12 -10.714   0.962  -3.809
    3    HB3  ALA  12           HB1      ALA  12  -8.965  -0.437  -3.735
    4    HB2  ALA  12           HB2      ALA  12  -9.809  -1.479  -4.879
    5    HB1  ALA  12           HB3      ALA  12  -9.980  -1.754  -3.146

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  13           H        GLY  13 -12.842  -1.794  -4.408
    2    HA3  GLY  13           HA2      GLY  13 -14.637  -1.415  -6.042
    3    HA2  GLY  13           HA3      GLY  13 -13.423  -0.676  -7.079

  No H/Q in entry =           3
  In of MODEL   13
    1    H    MET  14           H        MET  14 -12.699  -3.673  -5.280
    2    HA   MET  14           HA       MET  14 -12.612  -5.000  -7.918
    3    HB2  MET  14           HB2      MET  14 -10.485  -4.702  -6.507
    4    HB3  MET  14           HB3      MET  14 -11.154  -5.963  -5.470
    5    HG2  MET  14           HG2      MET  14 -10.993  -7.593  -7.116
    6    HG3  MET  14           HG3      MET  14 -11.091  -6.424  -8.431
    7    HE1  MET  14           HE1      MET  14  -9.172  -8.655  -8.723
    8    HE3  MET  14           HE2      MET  14  -8.939  -8.918  -6.998
    9    HE2  MET  14           HE3      MET  14  -7.555  -8.538  -8.019

  No H/Q in entry =           9
  In of MODEL   13
    1    H    SER  15           H        SER  15 -12.834  -6.256  -4.588
    2    HA   SER  15           HA       SER  15 -14.071  -8.614  -5.163
    3    HB2  SER  15           HB2      SER  15 -15.108  -7.060  -2.828
    4    HB3  SER  15           HB3      SER  15 -14.705  -8.773  -2.944
    5    HG   SER  15           HG       SER  15 -12.763  -8.277  -2.350

  No H/Q in entry =           5
  In of MODEL   13
    1    H    THR  16           H        THR  16 -15.521  -5.445  -5.461
    2    HA   THR  16           HA       THR  16 -18.198  -6.672  -5.631
    3    HB   THR  16           HB       THR  16 -17.456  -3.753  -5.947
    4    HG1  THR  16           HG1      THR  16 -18.649  -4.687  -3.634
    5   HG21  THR  16          HG21      THR  16 -20.017  -5.303  -5.629
    6   HG23  THR  16          HG22      THR  16 -19.619  -4.051  -6.808
    7   HG22  THR  16          HG23      THR  16 -19.921  -3.614  -5.125

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   13
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   13
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   13
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   13
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   13
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   13
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   13
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   13
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   13
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   13
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   13
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   13
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   13
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   13
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   13
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   13
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   13
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   13
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   13
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   13
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   13
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   13
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   13
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   13
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   13
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   13
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   13
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   13
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   13
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   13
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   13
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   13
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   13
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   13
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   14
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.283 -14.275  -2.735
    4    HB3  GLU   5           HB3      GLU   5 -14.691 -13.938  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.596 -11.566  -2.340
    6    HG3  GLU   5           HG3      GLU   5 -13.151 -11.859  -3.308

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   14
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   14
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   14
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.707  -8.432   1.543
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.709   1.344
    5    HG2  MET   9           HG2      MET   9 -14.266  -6.793  -0.970
    6    HG3  MET   9           HG3      MET   9 -13.814  -8.487  -0.788
    7    HE1  MET   9           HE1      MET   9 -16.263  -5.864  -0.428
    8    HE3  MET   9           HE2      MET   9 -17.466  -6.746   0.507
    9    HE2  MET   9           HE3      MET   9 -17.752  -6.424  -1.196

  No H/Q in entry =           9
  In of MODEL   14
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.946  -4.374   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.277  -6.183   0.970
    5   HG13  ILE  12          HG13      ILE  12  -9.699  -5.423  -0.552
    6   HG21  ILE  12          HG21      ILE  12  -8.725  -2.591   0.267
    7   HG23  ILE  12          HG22      ILE  12 -10.296  -2.054   0.866
    8   HG22  ILE  12          HG23      ILE  12 -10.187  -3.016  -0.614
    9   HD13  ILE  12          HD11      ILE  12  -7.316  -5.701  -0.543
   10   HD12  ILE  12          HD12      ILE  12  -7.189  -5.061   1.086
   11   HD11  ILE  12          HD13      ILE  12  -7.627  -3.999  -0.245

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.603   5.240
    4   HG12  ILE  13          HG12      ILE  13 -13.485  -3.058   2.663
    5   HG13  ILE  13          HG13      ILE  13 -14.904  -3.548   3.572
    6   HG21  ILE  13          HG21      ILE  13 -13.887  -0.659   5.442
    7   HG23  ILE  13          HG22      ILE  13 -13.753  -1.851   6.735
    8   HG22  ILE  13          HG23      ILE  13 -15.162  -1.856   5.674
    9   HD13  ILE  13          HD11      ILE  13 -15.706  -1.305   3.729
   10   HD12  ILE  13          HD12      ILE  13 -15.174  -1.494   2.063
   11   HD11  ILE  13          HD13      ILE  13 -14.155  -0.642   3.220

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   14
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   14
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   14
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   14
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   14
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   14
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   14
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   14
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   14
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   14
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   14
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   14
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   14
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.937  -6.672  10.555
    4    HB3  HIS  52           HB3      HIS  52  -1.117  -7.738  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.204 -10.072  11.806
    6    HD2  HIS  52           HD2      HIS  52   1.301  -7.216   8.975
    7    HE1  HIS  52           HE1      HIS  52   2.423 -10.829  10.848
    8    HE2  HIS  52           HE2      HIS  52   3.106  -9.097   9.121

  No H/Q in entry =           8
  In of MODEL   14
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   14
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   14
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   14
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.219  10.983
    4    HG1  THR  56           HG1      THR  56  -0.748 -12.083  10.660
    5   HG21  THR  56          HG21      THR  56   0.965 -15.676   9.965
    6   HG23  THR  56          HG22      THR  56   0.872 -15.201  11.660
    7   HG22  THR  56          HG23      THR  56   1.844 -14.257  10.534

  No H/Q in entry =           7
  In of MODEL   14
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.299 -14.626   4.875
    4   HG12  ILE  59          HG12      ILE  59   2.437 -16.276   3.521
    5   HG13  ILE  59          HG13      ILE  59   1.197 -15.424   2.615
    6   HG23  ILE  59          HG21      ILE  59   1.948 -14.952   6.433
    7   HG22  ILE  59          HG22      ILE  59   2.574 -16.371   5.637
    8   HG21  ILE  59          HG23      ILE  59   1.145 -16.495   6.649
    9   HD12  ILE  59          HD11      ILE  59   3.323 -14.257   4.403
   10   HD11  ILE  59          HD12      ILE  59   1.888 -13.337   3.951
   11   HD13  ILE  59          HD13      ILE  59   3.004 -13.896   2.706

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   14
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   14
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   14
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   14
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   14
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU  74           H        LEU  74  -4.273 -13.673  -2.351
    2    HA   LEU  74           HA       LEU  74  -3.898 -12.574   0.166
    3    HB2  LEU  74           HB2      LEU  74  -2.975 -14.712  -0.514
    4    HB3  LEU  74           HB3      LEU  74  -1.949 -13.928  -1.710
    5    HG   LEU  74           HG       LEU  74  -0.775 -12.736   0.127
    6   HD12  LEU  74          HD11      LEU  74  -1.220 -13.884   2.446
    7   HD11  LEU  74          HD12      LEU  74  -2.791 -14.273   1.748
    8   HD13  LEU  74          HD13      LEU  74  -2.290 -12.589   1.912
    9   HD21  LEU  74          HD21      LEU  74  -0.258 -15.172  -0.807
   10   HD23  LEU  74          HD22      LEU  74  -0.721 -15.662   0.813
   11   HD22  LEU  74          HD23      LEU  74   0.624 -14.549   0.586

  No H/Q in entry =          11
  In of MODEL   14
    1    H    VAL  75           H        VAL  75  -2.613 -11.587  -2.916
    2    HA   VAL  75           HA       VAL  75  -0.692  -9.739  -1.871
    3    HB   VAL  75           HB       VAL  75  -1.979  -9.921  -4.614
    4   HG13  VAL  75          HG11      VAL  75  -1.079  -7.825  -4.766
    5   HG12  VAL  75          HG12      VAL  75   0.415  -8.725  -5.022
    6   HG11  VAL  75          HG13      VAL  75   0.031  -8.090  -3.423
    7   HG21  VAL  75          HG21      VAL  75  -0.559 -11.889  -3.692
    8   HG23  VAL  75          HG22      VAL  75   0.813 -10.790  -3.833
    9   HG22  VAL  75          HG23      VAL  75  -0.113 -11.231  -5.267

  No H/Q in entry =           9
  In of MODEL   14
    1    H    HIS  76           H        HIS  76  -4.287  -9.329  -3.247
    2    HA   HIS  76           HA       HIS  76  -4.636  -6.567  -3.135
    3    HB2  HIS  76           HB2      HIS  76  -6.354  -8.149  -4.023
    4    HB3  HIS  76           HB3      HIS  76  -6.727  -8.635  -2.376
    5    HD1  HIS  76           HD1      HIS  76  -6.007  -5.015  -2.691
    6    HD2  HIS  76           HD2      HIS  76  -9.405  -7.442  -2.976
    7    HE1  HIS  76           HE1      HIS  76  -8.022  -3.463  -2.568

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ALA  77           H        ALA  77  -4.697  -8.950  -0.568
    2    HA   ALA  77           HA       ALA  77  -5.513  -7.037   1.458
    3    HB3  ALA  77           HB1      ALA  77  -6.241  -9.183   1.992
    4    HB2  ALA  77           HB2      ALA  77  -4.786  -9.036   2.977
    5    HB1  ALA  77           HB3      ALA  77  -4.737  -9.941   1.465

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLN  78           H        GLN  78  -2.498  -8.757   0.559
    2    HA   GLN  78           HA       GLN  78  -0.916  -7.697   2.638
    3    HB2  GLN  78           HB2      GLN  78  -0.382  -9.641   1.059
    4    HB3  GLN  78           HB3      GLN  78   0.105  -8.416  -0.112
    5    HG2  GLN  78           HG2      GLN  78   1.703  -7.500   1.548
    6    HG3  GLN  78           HG3      GLN  78   1.254  -8.783   2.668
    7   HE21  GLN  78          HE21      GLN  78   3.780  -9.136   2.305
    8   HE22  GLN  78          HE22      GLN  78   4.185 -10.216   1.060

  No H/Q in entry =           8
  In of MODEL   14
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   14
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.202   1.171
    4    HB3  HIS  80           HB3      HIS  80  -5.388  -2.808   2.203
    5    HD1  HIS  80           HD1      HIS  80  -6.645  -0.904   1.177
    6    HD2  HIS  80           HD2      HIS  80  -5.112  -3.490  -1.711
    7    HE1  HIS  80           HE1      HIS  80  -7.543  -0.098  -1.057
    8    HE2  HIS  80           HE2      HIS  80  -6.614  -1.669  -2.827

  No H/Q in entry =           8
  In of MODEL   14
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   14
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   14
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   14
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   14
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   14
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   14
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   14
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.415 -20.427  -4.404
    4    HB3  GLU   5           HB3      GLU   5  11.852 -20.885  -3.485
    5    HG2  GLU   5           HG2      GLU   5  10.921 -19.861  -1.466
    6    HG3  GLU   5           HG3      GLU   5   9.503 -19.328  -2.369

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   14
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   14
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   14
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.035 -16.707   0.856
    4    HB3  MET   9           HB3      MET   9  13.731 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.339 -16.586   2.243
    6    HG3  MET   9           HG3      MET   9  11.583 -17.044   0.557
    7    HE1  MET   9           HE1      MET   9  12.516 -17.392   4.037
    8    HE3  MET   9           HE2      MET   9  13.976 -18.351   3.809
    9    HE2  MET   9           HE3      MET   9  12.511 -19.119   4.415

  No H/Q in entry =           9
  In of MODEL   14
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.950   2.319
    4   HG12  ILE  12          HG12      ILE  12  10.864 -11.601  -0.005
    5   HG13  ILE  12          HG13      ILE  12   9.624 -12.247   1.051
    6   HG21  ILE  12          HG21      ILE  12   9.718  -9.767   3.040
    7   HG23  ILE  12          HG22      ILE  12  10.842 -10.571   4.135
    8   HG22  ILE  12          HG23      ILE  12   9.509 -11.475   3.418
    9   HD13  ILE  12          HD11      ILE  12   8.572 -10.538  -0.227
   10   HD12  ILE  12          HD12      ILE  12   9.925  -9.442  -0.012
   11   HD11  ILE  12          HD13      ILE  12   8.877  -9.822   1.348

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.106 -11.632   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.801 -12.606   4.673
    5   HG13  ILE  13          HG13      ILE  13  15.278 -13.529   4.928
    6   HG21  ILE  13          HG21      ILE  13  16.124 -10.500   6.637
    7   HG23  ILE  13          HG22      ILE  13  17.402 -10.466   5.422
    8   HG22  ILE  13          HG23      ILE  13  17.020 -11.971   6.259
    9   HD13  ILE  13          HD11      ILE  13  15.394 -12.901   7.227
   10   HD12  ILE  13          HD12      ILE  13  13.702 -13.303   6.943
   11   HD11  ILE  13          HD13      ILE  13  14.208 -11.615   7.010

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   14
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   14
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   14
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   14
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   14
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   14
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   14
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   14
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   14
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   14
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   14
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   14
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   14
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.303  -1.676  -5.691
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.642
    5    HD1  HIS  52           HD1      HIS  52  17.451  -2.029  -9.295
    6    HD2  HIS  52           HD2      HIS  52  14.045  -0.935  -7.154
    7    HE1  HIS  52           HE1      HIS  52  15.792  -1.148 -10.992
    8    HE2  HIS  52           HE2      HIS  52  13.710  -0.475  -9.703

  No H/Q in entry =           8
  In of MODEL   14
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   14
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   14
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   14
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.064
    4    HG1  THR  56           HG1      THR  56  17.088  -4.244 -10.398
    5   HG21  THR  56          HG21      THR  56  16.274  -5.076 -14.266
    6   HG23  THR  56          HG22      THR  56  17.773  -4.192 -13.985
    7   HG22  THR  56          HG23      THR  56  16.227  -3.454 -13.576

  No H/Q in entry =           7
  In of MODEL   14
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.803  -7.173 -12.517
    4   HG12  ILE  59          HG12      ILE  59   9.945  -6.971 -14.892
    5   HG13  ILE  59          HG13      ILE  59   9.513  -7.852 -13.435
    6   HG23  ILE  59          HG21      ILE  59  12.579  -5.439 -13.801
    7   HG22  ILE  59          HG22      ILE  59  11.817  -6.029 -15.255
    8   HG21  ILE  59          HG23      ILE  59  13.330  -6.737 -14.713
    9   HD12  ILE  59          HD11      ILE  59  10.091  -4.909 -13.722
   10   HD11  ILE  59          HD12      ILE  59  10.136  -5.712 -12.153
   11   HD13  ILE  59          HD13      ILE  59   8.639  -5.679 -13.083

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   14
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   14
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   14
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   14
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   14
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU  74           H        LEU  74   6.993 -13.153  -8.617
    2    HA   LEU  74           HA       LEU  74   8.966 -11.259  -8.134
    3    HB2  LEU  74           HB2      LEU  74   8.288 -11.943 -10.362
    4    HB3  LEU  74           HB3      LEU  74   6.677 -11.277 -10.114
    5    HG   LEU  74           HG       LEU  74   7.683  -9.014  -9.894
    6   HD12  LEU  74          HD11      LEU  74  10.120  -8.956 -10.868
    7   HD11  LEU  74          HD12      LEU  74  10.189 -10.627 -10.311
    8   HD13  LEU  74          HD13      LEU  74   9.888  -9.325  -9.161
    9   HD21  LEU  74          HD21      LEU  74   6.981 -10.261 -12.137
   10   HD23  LEU  74          HD22      LEU  74   8.700 -10.175 -12.473
   11   HD22  LEU  74          HD23      LEU  74   7.787  -8.696 -12.205

  No H/Q in entry =          11
  In of MODEL   14
    1    H    VAL  75           H        VAL  75   5.492 -11.006  -7.842
    2    HA   VAL  75           HA       VAL  75   5.393  -8.217  -7.268
    3    HB   VAL  75           HB       VAL  75   3.466 -10.454  -6.573
    4   HG13  VAL  75          HG11      VAL  75   2.698  -8.832  -5.141
    5   HG12  VAL  75          HG12      VAL  75   1.933  -8.240  -6.616
    6   HG11  VAL  75          HG13      VAL  75   3.443  -7.522  -6.057
    7   HG21  VAL  75          HG21      VAL  75   3.993  -9.880  -9.042
    8   HG23  VAL  75          HG22      VAL  75   3.175  -8.350  -8.730
    9   HG22  VAL  75          HG23      VAL  75   2.297  -9.867  -8.557

  No H/Q in entry =           9
  In of MODEL   14
    1    H    HIS  76           H        HIS  76   5.594 -11.194  -5.138
    2    HA   HIS  76           HA       HIS  76   5.332  -9.986  -2.639
    3    HB2  HIS  76           HB2      HIS  76   5.516 -12.463  -3.097
    4    HB3  HIS  76           HB3      HIS  76   7.259 -12.233  -3.251
    5    HD1  HIS  76           HD1      HIS  76   5.621 -10.032  -0.791
    6    HD2  HIS  76           HD2      HIS  76   7.475 -13.766  -0.753
    7    HE1  HIS  76           HE1      HIS  76   6.100 -10.569   1.637

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ALA  77           H        ALA  77   8.233 -10.417  -4.639
    2    HA   ALA  77           HA       ALA  77   9.985  -9.123  -2.776
    3    HB1  ALA  77           HB1      ALA  77  11.138 -10.505  -4.243
    4    HB3  ALA  77           HB2      ALA  77  11.416  -8.923  -4.970
    5    HB2  ALA  77           HB3      ALA  77  10.189  -9.996  -5.641

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLN  78           H        GLN  78   8.200  -8.073  -5.663
    2    HA   GLN  78           HA       GLN  78   9.290  -5.466  -5.794
    3    HB2  GLN  78           HB2      GLN  78   7.910  -6.726  -7.557
    4    HB3  GLN  78           HB3      GLN  78   6.492  -6.215  -6.644
    5    HG2  GLN  78           HG2      GLN  78   7.216  -3.858  -6.873
    6    HG3  GLN  78           HG3      GLN  78   8.590  -4.387  -7.842
    7   HE21  GLN  78          HE21      GLN  78   7.289  -2.817  -9.413
    8   HE22  GLN  78          HE22      GLN  78   6.151  -3.580 -10.415

  No H/Q in entry =           8
  In of MODEL   14
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   14
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.162  -7.454  -0.515
    4    HB3  HIS  80           HB3      HIS  80  10.041  -6.565   0.730
    5    HD1  HIS  80           HD1      HIS  80   9.385  -6.996   3.100
    6    HD2  HIS  80           HD2      HIS  80   6.471  -8.309   0.422
    7    HE1  HIS  80           HE1      HIS  80   7.620  -8.189   4.484
    8    HE2  HIS  80           HE2      HIS  80   5.837  -8.993   2.861

  No H/Q in entry =           8
  In of MODEL   14
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   14
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   14
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   14
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   14
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   14
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   14
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   14
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.094  -6.379 -21.744
    4    HB3  GLU   5           HB3      GLU   5   0.435  -5.140 -22.953
    5    HG2  GLU   5           HG2      GLU   5   2.487  -4.511 -21.752
    6    HG3  GLU   5           HG3      GLU   5   2.147  -5.719 -20.516

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   14
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   14
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   14
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.884   0.432 -21.000
    4    HB3  MET   9           HB3      MET   9   4.424   1.171 -20.553
    5    HG2  MET   9           HG2      MET   9   5.214  -0.956 -19.639
    6    HG3  MET   9           HG3      MET   9   3.656  -1.707 -19.982
    7    HE1  MET   9           HE1      MET   9   6.468   0.266 -21.114
    8    HE3  MET   9           HE2      MET   9   5.804   0.781 -22.662
    9    HE2  MET   9           HE3      MET   9   7.055  -0.459 -22.616

  No H/Q in entry =           9
  In of MODEL   14
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.483   1.691 -15.886
    4   HG12  ILE  12          HG12      ILE  12   2.673   0.272 -14.928
    5   HG13  ILE  12          HG13      ILE  12   4.223  -0.543 -14.940
    6   HG21  ILE  12          HG21      ILE  12   5.624   1.626 -13.084
    7   HG23  ILE  12          HG22      ILE  12   6.269   2.516 -14.463
    8   HG22  ILE  12          HG23      ILE  12   6.291   0.754 -14.463
    9   HD13  ILE  12          HD11      ILE  12   3.246  -1.002 -12.818
   10   HD12  ILE  12          HD12      ILE  12   2.748   0.668 -12.605
   11   HD11  ILE  12          HD13      ILE  12   4.452   0.241 -12.525

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.816 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.841   3.933 -17.774
    5   HG13  ILE  13          HG13      ILE  13   5.600   4.684 -19.349
    6   HG21  ILE  13          HG21      ILE  13   6.369   7.576 -17.385
    7   HG23  ILE  13          HG22      ILE  13   4.747   8.042 -17.897
    8   HG22  ILE  13          HG23      ILE  13   5.871   7.343 -19.061
    9   HD13  ILE  13          HD11      ILE  13   7.541   6.049 -19.108
   10   HD12  ILE  13          HD12      ILE  13   8.027   4.452 -18.541
   11   HD11  ILE  13          HD13      ILE  13   7.645   5.721 -17.379

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   14
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   14
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   14
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   14
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   14
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   14
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   14
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   14
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   14
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   14
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   14
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   14
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   14
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.026  -8.745
    4    HB3  HIS  52           HB3      HIS  52  -7.520   7.698  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.741   6.207  -9.281
    6    HD2  HIS  52           HD2      HIS  52  -6.586   5.099  -6.794
    7    HE1  HIS  52           HE1      HIS  52 -10.725   4.693  -7.512
    8    HE2  HIS  52           HE2      HIS  52  -8.816   4.012  -5.979

  No H/Q in entry =           8
  In of MODEL   14
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   14
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   14
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   14
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.904   3.586 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.285   4.344 -10.841
    5   HG21  THR  56          HG21      THR  56 -13.302   1.672 -10.729
    6   HG23  THR  56          HG22      THR  56 -13.816   3.354 -10.858
    7   HG22  THR  56          HG23      THR  56 -12.936   2.809  -9.432

  No H/Q in entry =           7
  In of MODEL   14
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.651  -1.986 -10.400
    4   HG12  ILE  59          HG12      ILE  59 -10.982  -4.267  -8.952
    5   HG13  ILE  59          HG13      ILE  59  -9.429  -4.482  -9.744
    6   HG23  ILE  59          HG21      ILE  59 -11.673  -0.932 -10.056
    7   HG22  ILE  59          HG22      ILE  59 -11.668  -1.995  -8.674
    8   HG21  ILE  59          HG23      ILE  59 -12.602  -2.420 -10.099
    9   HD12  ILE  59          HD11      ILE  59 -10.123  -2.734  -7.411
   10   HD11  ILE  59          HD12      ILE  59  -8.772  -2.295  -8.454
   11   HD13  ILE  59          HD13      ILE  59  -8.763  -3.840  -7.606

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   14
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   14
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   14
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   14
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   14
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU  74           H        LEU  74  -3.313  -7.005 -13.415
    2    HA   LEU  74           HA       LEU  74  -3.944  -4.373 -12.836
    3    HB2  LEU  74           HB2      LEU  74  -5.573  -6.183 -12.844
    4    HB3  LEU  74           HB3      LEU  74  -4.782  -6.946 -11.470
    5    HG   LEU  74           HG       LEU  74  -5.325  -4.950 -10.090
    6   HD12  LEU  74          HD11      LEU  74  -7.211  -3.505 -11.203
    7   HD11  LEU  74          HD12      LEU  74  -6.500  -4.066 -12.715
    8   HD13  LEU  74          HD13      LEU  74  -5.525  -3.145 -11.571
    9   HD21  LEU  74          HD21      LEU  74  -6.877  -7.059 -10.557
   10   HD23  LEU  74          HD22      LEU  74  -7.899  -5.870 -11.347
   11   HD22  LEU  74          HD23      LEU  74  -7.498  -5.686  -9.643

  No H/Q in entry =          11
  In of MODEL   14
    1    H    VAL  75           H        VAL  75  -2.294  -6.743 -10.866
    2    HA   VAL  75           HA       VAL  75  -2.123  -5.163  -8.500
    3    HB   VAL  75           HB       VAL  75  -0.392  -7.458  -9.457
    4   HG13  VAL  75          HG11      VAL  75   0.965  -6.590  -7.814
    5   HG12  VAL  75          HG12      VAL  75  -0.139  -7.494  -6.778
    6   HG11  VAL  75          HG13      VAL  75  -0.365  -5.760  -7.008
    7   HG21  VAL  75          HG21      VAL  75  -2.927  -7.798  -9.007
    8   HG23  VAL  75          HG22      VAL  75  -2.531  -7.507  -7.313
    9   HG22  VAL  75          HG23      VAL  75  -1.804  -8.866  -8.166

  No H/Q in entry =           9
  In of MODEL   14
    1    H    HIS  76           H        HIS  76   0.130  -5.632 -11.347
    2    HA   HIS  76           HA       HIS  76   2.318  -4.169 -10.431
    3    HB2  HIS  76           HB2      HIS  76   2.195  -5.476 -12.584
    4    HB3  HIS  76           HB3      HIS  76   1.298  -4.124 -13.276
    5    HD1  HIS  76           HD1      HIS  76   3.906  -3.237 -10.809
    6    HD2  HIS  76           HD2      HIS  76   3.635  -3.612 -14.951
    7    HE1  HIS  76           HE1      HIS  76   5.954  -2.097 -11.766

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ALA  77           H        ALA  77  -0.608  -3.040 -12.088
    2    HA   ALA  77           HA       ALA  77   0.178  -0.284 -12.080
    3    HB1  ALA  77           HB1      ALA  77  -1.422  -0.738 -13.705
    4    HB3  ALA  77           HB2      ALA  77  -2.414  -0.029 -12.432
    5    HB2  ALA  77           HB3      ALA  77  -2.367  -1.779 -12.639

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLN  78           H        GLN  78  -1.841  -2.309  -9.977
    2    HA   GLN  78           HA       GLN  78  -2.776  -0.220  -8.314
    3    HB2  GLN  78           HB2      GLN  78  -3.630  -2.635  -8.497
    4    HB3  GLN  78           HB3      GLN  78  -2.304  -3.063  -7.416
    5    HG2  GLN  78           HG2      GLN  78  -3.139  -1.406  -5.773
    6    HG3  GLN  78           HG3      GLN  78  -4.497  -1.055  -6.839
    7   HE21  GLN  78          HE21      GLN  78  -5.607  -1.889  -4.670
    8   HE22  GLN  78          HE22      GLN  78  -5.937  -3.553  -4.622

  No H/Q in entry =           8
  In of MODEL   14
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   14
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.319   0.887 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.962   2.519 -10.293
    5    HD1  HIS  80           HD1      HIS  80   5.427   2.797 -10.562
    6    HD2  HIS  80           HD2      HIS  80   4.382  -1.184  -9.900
    7    HE1  HIS  80           HE1      HIS  80   7.562   1.443 -10.802
    8    HE2  HIS  80           HE2      HIS  80   6.936  -0.988 -10.402

  No H/Q in entry =           8
  In of MODEL   14
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   14
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   14
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   14
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   14
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   14
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   14
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   14
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   14
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   14
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   14
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   14
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   14
    1    H    PHE   9           H        PHE   9 -21.285   0.637  -3.912
    2    HA   PHE   9           HA       PHE   9 -18.527   1.531  -4.547
    3    HB2  PHE   9           HB2      PHE   9 -20.345   2.441  -2.309
    4    HB3  PHE   9           HB3      PHE   9 -18.636   2.855  -2.438
    5    HD1  PHE   9           HD1      PHE   9 -21.989   3.526  -3.651
    6    HD2  PHE   9           HD2      PHE   9 -17.814   4.162  -4.423
    7    HE1  PHE   9           HE1      PHE   9 -22.558   5.379  -5.196
    8    HE2  PHE   9           HE2      PHE   9 -18.383   6.015  -5.971
    9    HZ   PHE   9           HZ       PHE   9 -20.756   6.624  -6.357

  No H/Q in entry =           9
  In of MODEL   14
    1    H    CYS  10           H        CYS  10 -16.924   0.902  -3.262
    2    HA   CYS  10           HA       CYS  10 -17.183  -0.794  -0.939
    3    HB2  CYS  10           HB2      CYS  10 -16.096  -2.725  -1.749
    4    HB3  CYS  10           HB3      CYS  10 -17.222  -2.315  -3.047

  No H/Q in entry =           4
  In of MODEL   14
    1    H    SER  11           H        SER  11 -14.413  -1.472  -0.471
    2    HA   SER  11           HA       SER  11 -13.486   1.174  -0.063
    3    HB2  SER  11           HB2      SER  11 -11.202  -0.190   0.221
    4    HB3  SER  11           HB3      SER  11 -12.450  -0.207   1.448
    5    HG   SER  11           HG       SER  11 -11.614  -2.181  -0.275

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA  12           H        ALA  12 -12.180  -1.349  -2.372
    2    HA   ALA  12           HA       ALA  12 -10.769   0.877  -3.679
    3    HB3  ALA  12           HB1      ALA  12  -9.043  -0.552  -3.632
    4    HB2  ALA  12           HB2      ALA  12  -9.914  -1.569  -4.778
    5    HB1  ALA  12           HB3      ALA  12 -10.076  -1.856  -3.046

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  13           H        GLY  13 -12.858  -1.902  -4.336
    2    HA3  GLY  13           HA2      GLY  13 -14.691  -1.510  -5.935
    3    HA2  GLY  13           HA3      GLY  13 -13.502  -0.723  -6.966

  No H/Q in entry =           3
  In of MODEL   14
    1    H    MET  14           H        MET  14 -12.724  -3.736  -5.233
    2    HA   MET  14           HA       MET  14 -12.618  -5.029  -7.887
    3    HB2  MET  14           HB2      MET  14 -10.456  -4.845  -6.742
    4    HB3  MET  14           HB3      MET  14 -11.106  -5.736  -5.366
    5    HG2  MET  14           HG2      MET  14 -10.691  -7.692  -6.397
    6    HG3  MET  14           HG3      MET  14 -11.662  -7.197  -7.782
    7    HE1  MET  14           HE1      MET  14  -8.241  -6.870  -5.992
    8    HE3  MET  14           HE2      MET  14  -7.169  -7.359  -7.301
    9    HE2  MET  14           HE3      MET  14  -8.423  -8.461  -6.741

  No H/Q in entry =           9
  In of MODEL   14
    1    H    SER  15           H        SER  15 -12.852  -6.328  -4.579
    2    HA   SER  15           HA       SER  15 -14.108  -8.673  -5.191
    3    HB2  SER  15           HB2      SER  15 -13.437  -7.704  -2.877
    4    HB3  SER  15           HB3      SER  15 -15.101  -7.120  -2.830
    5    HG   SER  15           HG       SER  15 -14.594  -9.763  -3.608

  No H/Q in entry =           5
  In of MODEL   14
    1    H    THR  16           H        THR  16 -15.521  -5.479  -5.473
    2    HA   THR  16           HA       THR  16 -18.205  -6.695  -5.638
    3    HB   THR  16           HB       THR  16 -17.459  -3.776  -5.942
    4    HG1  THR  16           HG1      THR  16 -17.334  -5.304  -3.798
    5   HG23  THR  16          HG21      THR  16 -19.626  -4.065  -6.793
    6   HG22  THR  16          HG22      THR  16 -19.922  -3.644  -5.105
    7   HG21  THR  16          HG23      THR  16 -20.019  -5.327  -5.624

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   14
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   14
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   14
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   14
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   14
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   14
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   14
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   14
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   14
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   14
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   14
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   14
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   14
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   14
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   14
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   14
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   14
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.796
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   14
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   14
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   14
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   14
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   14
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   14
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   14
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   14
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   14
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   14
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   14
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   14
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   14
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   14
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   14
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   14
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   14
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   15
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.287 -14.282  -2.730
    4    HB3  GLU   5           HB3      GLU   5 -14.695 -13.929  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.579 -11.561  -2.353
    6    HG3  GLU   5           HG3      GLU   5 -13.136 -11.871  -3.318

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   15
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   15
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   15
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.710  -8.427   1.549
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.705   1.336
    5    HG2  MET   9           HG2      MET   9 -14.270  -6.806  -0.975
    6    HG3  MET   9           HG3      MET   9 -13.807  -8.497  -0.781
    7    HE1  MET   9           HE1      MET   9 -16.281  -5.878  -0.488
    8    HE3  MET   9           HE2      MET   9 -17.431  -6.752   0.517
    9    HE2  MET   9           HE3      MET   9 -17.788  -6.484  -1.182

  No H/Q in entry =           9
  In of MODEL   15
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.936  -4.413   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.171  -6.146   0.952
    5   HG13  ILE  12          HG13      ILE  12  -9.685  -5.415  -0.556
    6   HG23  ILE  12          HG21      ILE  12 -10.263  -2.972  -0.591
    7   HG22  ILE  12          HG22      ILE  12  -8.788  -2.536   0.274
    8   HG21  ILE  12          HG23      ILE  12 -10.369  -2.082   0.922
    9   HD11  ILE  12          HD11      ILE  12  -7.658  -3.895  -0.351
   10   HD13  ILE  12          HD12      ILE  12  -7.300  -5.592  -0.612
   11   HD12  ILE  12          HD13      ILE  12  -7.157  -4.901   0.998

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.493  -3.063   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.920  -3.526   3.576
    6   HG21  ILE  13          HG21      ILE  13 -13.879  -0.662   5.459
    7   HG23  ILE  13          HG22      ILE  13 -13.752  -1.866   6.741
    8   HG22  ILE  13          HG23      ILE  13 -15.160  -1.856   5.679
    9   HD13  ILE  13          HD11      ILE  13 -15.799  -1.372   3.560
   10   HD12  ILE  13          HD12      ILE  13 -14.952  -1.383   2.018
   11   HD11  ILE  13          HD13      ILE  13 -14.210  -0.621   3.423

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   15
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   15
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   15
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   15
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   15
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   15
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   15
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   15
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   15
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   15
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   15
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   15
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   15
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.923  -6.679  10.537
    4    HB3  HIS  52           HB3      HIS  52  -1.129  -7.717  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.274  -9.948  12.002
    6    HD2  HIS  52           HD2      HIS  52   1.222  -7.391   8.850
    7    HE1  HIS  52           HE1      HIS  52   2.467 -10.776  11.044
    8    HE2  HIS  52           HE2      HIS  52   3.060  -9.226   9.121

  No H/Q in entry =           8
  In of MODEL   15
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   15
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   15
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   15
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.097 -14.214  10.983
    4    HG1  THR  56           HG1      THR  56   0.839 -12.571  11.150
    5   HG21  THR  56          HG21      THR  56   0.945 -15.693   9.982
    6   HG23  THR  56          HG22      THR  56   0.875 -15.189  11.669
    7   HG22  THR  56          HG23      THR  56   1.843 -14.274  10.517

  No H/Q in entry =           7
  In of MODEL   15
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.914
    4   HG12  ILE  59          HG12      ILE  59   2.368 -16.260   3.424
    5   HG13  ILE  59          HG13      ILE  59   1.133 -15.307   2.616
    6   HG23  ILE  59          HG21      ILE  59   2.374 -15.076   6.103
    7   HG22  ILE  59          HG22      ILE  59   2.296 -16.769   5.693
    8   HG21  ILE  59          HG23      ILE  59   1.120 -16.083   6.802
    9   HD11  ILE  59          HD11      ILE  59   1.954 -13.340   4.073
   10   HD13  ILE  59          HD12      ILE  59   2.982 -13.844   2.732
   11   HD12  ILE  59          HD13      ILE  59   3.375 -14.340   4.377

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   15
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   15
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   15
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   15
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   15
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU  74           H        LEU  74  -4.305 -13.685  -2.338
    2    HA   LEU  74           HA       LEU  74  -3.884 -12.587   0.167
    3    HB2  LEU  74           HB2      LEU  74  -2.985 -14.730  -0.505
    4    HB3  LEU  74           HB3      LEU  74  -1.983 -13.969  -1.736
    5    HG   LEU  74           HG       LEU  74  -0.729 -12.786   0.036
    6   HD12  LEU  74          HD11      LEU  74  -1.145 -13.795   2.406
    7   HD11  LEU  74          HD12      LEU  74  -2.729 -14.229   1.769
    8   HD13  LEU  74          HD13      LEU  74  -2.237 -12.536   1.830
    9   HD22  LEU  74          HD21      LEU  74   0.634 -14.633   0.496
   10   HD21  LEU  74          HD22      LEU  74  -0.342 -15.282  -0.810
   11   HD23  LEU  74          HD23      LEU  74  -0.742 -15.673   0.858

  No H/Q in entry =          11
  In of MODEL   15
    1    H    VAL  75           H        VAL  75  -2.631 -11.599  -2.926
    2    HA   VAL  75           HA       VAL  75  -0.680  -9.778  -1.878
    3    HB   VAL  75           HB       VAL  75  -1.958  -9.896  -4.628
    4   HG12  VAL  75          HG11      VAL  75   0.453  -8.839  -5.075
    5   HG11  VAL  75          HG12      VAL  75   0.238  -8.271  -3.420
    6   HG13  VAL  75          HG13      VAL  75  -0.933  -7.831  -4.661
    7   HG21  VAL  75          HG21      VAL  75   0.523 -11.199  -3.459
    8   HG23  VAL  75          HG22      VAL  75   0.245 -11.054  -5.194
    9   HG22  VAL  75          HG23      VAL  75  -0.865 -11.995  -4.201

  No H/Q in entry =           9
  In of MODEL   15
    1    H    HIS  76           H        HIS  76  -4.273  -9.344  -3.244
    2    HA   HIS  76           HA       HIS  76  -4.586  -6.571  -3.144
    3    HB2  HIS  76           HB2      HIS  76  -6.314  -8.136  -4.048
    4    HB3  HIS  76           HB3      HIS  76  -6.709  -8.612  -2.402
    5    HD1  HIS  76           HD1      HIS  76  -5.939  -4.993  -2.839
    6    HD2  HIS  76           HD2      HIS  76  -9.365  -7.395  -2.917
    7    HE1  HIS  76           HE1      HIS  76  -7.934  -3.418  -2.711

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ALA  77           H        ALA  77  -4.689  -8.956  -0.586
    2    HA   ALA  77           HA       ALA  77  -5.513  -7.051   1.442
    3    HB3  ALA  77           HB1      ALA  77  -6.239  -9.207   1.955
    4    HB2  ALA  77           HB2      ALA  77  -4.799  -9.052   2.961
    5    HB1  ALA  77           HB3      ALA  77  -4.722  -9.953   1.447

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLN  78           H        GLN  78  -2.486  -8.754   0.551
    2    HA   GLN  78           HA       GLN  78  -0.921  -7.687   2.644
    3    HB2  GLN  78           HB2      GLN  78  -0.366  -9.638   1.087
    4    HB3  GLN  78           HB3      GLN  78   0.112  -8.423  -0.098
    5    HG2  GLN  78           HG2      GLN  78   1.704  -7.477   1.552
    6    HG3  GLN  78           HG3      GLN  78   1.262  -8.749   2.687
    7   HE21  GLN  78          HE21      GLN  78   3.791  -9.088   2.328
    8   HE22  GLN  78          HE22      GLN  78   4.204 -10.182   1.097

  No H/Q in entry =           8
  In of MODEL   15
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   15
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.204   1.193
    4    HB3  HIS  80           HB3      HIS  80  -5.393  -2.788   2.194
    5    HD1  HIS  80           HD1      HIS  80  -6.724  -0.969   1.132
    6    HD2  HIS  80           HD2      HIS  80  -5.017  -3.493  -1.714
    7    HE1  HIS  80           HE1      HIS  80  -7.591  -0.195  -1.127
    8    HE2  HIS  80           HE2      HIS  80  -6.556  -1.728  -2.871

  No H/Q in entry =           8
  In of MODEL   15
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   15
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   15
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   15
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   15
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   15
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   15
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   15
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.422 -20.431  -4.408
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.476
    5    HG2  GLU   5           HG2      GLU   5  10.901 -19.852  -1.469
    6    HG3  GLU   5           HG3      GLU   5   9.490 -19.327  -2.386

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   15
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   15
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   15
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.038 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.728 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.340 -16.594   2.243
    6    HG3  MET   9           HG3      MET   9  11.582 -17.038   0.553
    7    HE1  MET   9           HE1      MET   9  12.475 -17.437   4.045
    8    HE3  MET   9           HE2      MET   9  13.974 -18.326   3.788
    9    HE2  MET   9           HE3      MET   9  12.547 -19.170   4.385

  No H/Q in entry =           9
  In of MODEL   15
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.955   2.300
    4   HG12  ILE  12          HG12      ILE  12  10.832 -11.519  -0.021
    5   HG13  ILE  12          HG13      ILE  12   9.647 -12.262   1.035
    6   HG22  ILE  12          HG21      ILE  12   9.510 -11.471   3.423
    7   HG21  ILE  12          HG22      ILE  12   9.761  -9.757   3.094
    8   HG23  ILE  12          HG23      ILE  12  10.877 -10.627   4.146
    9   HD11  ILE  12          HD11      ILE  12   8.759  -9.907   1.437
   10   HD13  ILE  12          HD12      ILE  12   8.521 -10.551  -0.178
   11   HD12  ILE  12          HD13      ILE  12   9.813  -9.398   0.126

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.102 -11.636   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.810 -12.619   4.665
    5   HG13  ILE  13          HG13      ILE  13  15.288 -13.528   4.960
    6   HG21  ILE  13          HG21      ILE  13  16.134 -10.491   6.630
    7   HG23  ILE  13          HG22      ILE  13  17.407 -10.468   5.410
    8   HG22  ILE  13          HG23      ILE  13  17.023 -11.967   6.257
    9   HD13  ILE  13          HD11      ILE  13  15.263 -13.094   7.236
   10   HD12  ILE  13          HD12      ILE  13  13.531 -13.072   6.913
   11   HD11  ILE  13          HD13      ILE  13  14.423 -11.557   7.036

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   15
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   15
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   15
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   15
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   15
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   15
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   15
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   15
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   15
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   15
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   15
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   15
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   15
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.282  -1.676  -5.702
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.770  -6.619
    5    HD1  HIS  52           HD1      HIS  52  17.581  -1.836  -9.246
    6    HD2  HIS  52           HD2      HIS  52  13.991  -1.132  -7.249
    7    HE1  HIS  52           HE1      HIS  52  15.943  -1.008 -10.990
    8    HE2  HIS  52           HE2      HIS  52  13.749  -0.572  -9.789

  No H/Q in entry =           8
  In of MODEL   15
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   15
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   15
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   15
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.454 -12.059
    4    HG1  THR  56           HG1      THR  56  16.949  -3.092 -11.685
    5   HG21  THR  56          HG21      THR  56  16.302  -5.094 -14.272
    6   HG23  THR  56          HG22      THR  56  17.778  -4.178 -13.977
    7   HG22  THR  56          HG23      THR  56  16.212  -3.472 -13.588

  No H/Q in entry =           7
  In of MODEL   15
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.840  -7.161 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.884  -7.056 -14.834
    5   HG13  ILE  59          HG13      ILE  59   9.522  -7.840 -13.303
    6   HG23  ILE  59          HG21      ILE  59  12.137  -5.322 -14.089
    7   HG22  ILE  59          HG22      ILE  59  12.032  -6.407 -15.450
    8   HG21  ILE  59          HG23      ILE  59  13.417  -6.489 -14.374
    9   HD11  ILE  59          HD11      ILE  59  10.223  -5.609 -12.207
   10   HD13  ILE  59          HD12      ILE  59   8.664  -5.659 -13.029
   11   HD12  ILE  59          HD13      ILE  59  10.056  -4.923 -13.823

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   15
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   15
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   15
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   15
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   15
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU  74           H        LEU  74   7.002 -13.171  -8.613
    2    HA   LEU  74           HA       LEU  74   8.957 -11.255  -8.146
    3    HB2  LEU  74           HB2      LEU  74   8.315 -11.956 -10.369
    4    HB3  LEU  74           HB3      LEU  74   6.682 -11.342 -10.138
    5    HG   LEU  74           HG       LEU  74   7.590  -9.047  -9.954
    6   HD12  LEU  74          HD11      LEU  74  10.043  -8.868 -10.825
    7   HD11  LEU  74          HD12      LEU  74  10.182 -10.547 -10.305
    8   HD13  LEU  74          HD13      LEU  74   9.785  -9.290  -9.133
    9   HD22  LEU  74          HD21      LEU  74   7.721  -8.771 -12.276
   10   HD21  LEU  74          HD22      LEU  74   7.036 -10.383 -12.189
   11   HD23  LEU  74          HD23      LEU  74   8.760 -10.180 -12.476

  No H/Q in entry =          11
  In of MODEL   15
    1    H    VAL  75           H        VAL  75   5.481 -11.026  -7.870
    2    HA   VAL  75           HA       VAL  75   5.370  -8.226  -7.340
    3    HB   VAL  75           HB       VAL  75   3.428 -10.435  -6.599
    4   HG12  VAL  75          HG11      VAL  75   1.864  -8.300  -6.751
    5   HG11  VAL  75          HG12      VAL  75   3.355  -7.450  -6.347
    6   HG13  VAL  75          HG13      VAL  75   2.721  -8.682  -5.258
    7   HG21  VAL  75          HG21      VAL  75   3.678  -8.606  -9.007
    8   HG23  VAL  75          HG22      VAL  75   2.189  -9.466  -8.621
    9   HG22  VAL  75          HG23      VAL  75   3.657 -10.369  -8.986

  No H/Q in entry =           9
  In of MODEL   15
    1    H    HIS  76           H        HIS  76   5.546 -11.174  -5.169
    2    HA   HIS  76           HA       HIS  76   5.257  -9.916  -2.692
    3    HB2  HIS  76           HB2      HIS  76   5.472 -12.431  -3.213
    4    HB3  HIS  76           HB3      HIS  76   7.215 -12.163  -3.130
    5    HD1  HIS  76           HD1      HIS  76   7.991 -12.865  -0.870
    6    HD2  HIS  76           HD2      HIS  76   4.345 -10.853  -0.671
    7    HE1  HIS  76           HE1      HIS  76   7.412 -12.674   1.587

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ALA  77           H        ALA  77   8.183 -10.435  -4.640
    2    HA   ALA  77           HA       ALA  77   9.937  -9.156  -2.780
    3    HB1  ALA  77           HB1      ALA  77  11.074 -10.553  -4.247
    4    HB3  ALA  77           HB2      ALA  77  11.382  -8.973  -4.964
    5    HB2  ALA  77           HB3      ALA  77  10.140 -10.022  -5.647

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLN  78           H        GLN  78   8.173  -8.073  -5.664
    2    HA   GLN  78           HA       GLN  78   9.297  -5.478  -5.782
    3    HB2  GLN  78           HB2      GLN  78   7.927  -6.705  -7.567
    4    HB3  GLN  78           HB3      GLN  78   6.500  -6.211  -6.656
    5    HG2  GLN  78           HG2      GLN  78   7.216  -3.849  -6.851
    6    HG3  GLN  78           HG3      GLN  78   8.601  -4.360  -7.815
    7   HE21  GLN  78          HE21      GLN  78   7.305  -2.775  -9.376
    8   HE22  GLN  78          HE22      GLN  78   6.179  -3.530 -10.398

  No H/Q in entry =           8
  In of MODEL   15
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   15
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.188  -7.443  -0.521
    4    HB3  HIS  80           HB3      HIS  80  10.030  -6.562   0.756
    5    HD1  HIS  80           HD1      HIS  80   9.363  -7.101   3.093
    6    HD2  HIS  80           HD2      HIS  80   6.441  -8.259   0.354
    7    HE1  HIS  80           HE1      HIS  80   7.566  -8.306   4.424
    8    HE2  HIS  80           HE2      HIS  80   5.778  -9.016   2.763

  No H/Q in entry =           8
  In of MODEL   15
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   15
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   15
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   15
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   15
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   15
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   15
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   15
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.104  -6.381 -21.733
    4    HB3  GLU   5           HB3      GLU   5   0.421  -5.148 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.484  -4.499 -21.797
    6    HG3  GLU   5           HG3      GLU   5   2.163  -5.676 -20.527

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   15
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   15
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   15
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.432 -21.000
    4    HB3  MET   9           HB3      MET   9   4.424   1.171 -20.553
    5    HG2  MET   9           HG2      MET   9   5.221  -0.953 -19.649
    6    HG3  MET   9           HG3      MET   9   3.659  -1.705 -19.970
    7    HE1  MET   9           HE1      MET   9   6.506   0.205 -21.131
    8    HE3  MET   9           HE2      MET   9   5.799   0.773 -22.642
    9    HE2  MET   9           HE3      MET   9   7.027  -0.489 -22.672

  No H/Q in entry =           9
  In of MODEL   15
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.468   1.681 -15.889
    4   HG12  ILE  12          HG12      ILE  12   2.658   0.286 -14.839
    5   HG13  ILE  12          HG13      ILE  12   4.197  -0.539 -14.970
    6   HG22  ILE  12          HG21      ILE  12   6.293   0.755 -14.460
    7   HG21  ILE  12          HG22      ILE  12   5.652   1.681 -13.103
    8   HG23  ILE  12          HG23      ILE  12   6.274   2.517 -14.524
    9   HD11  ILE  12          HD11      ILE  12   4.595   0.146 -12.549
   10   HD13  ILE  12          HD12      ILE  12   3.323  -1.035 -12.812
   11   HD12  ILE  12          HD13      ILE  12   2.913   0.651 -12.524

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.811 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.833   3.930 -17.788
    5   HG13  ILE  13          HG13      ILE  13   5.622   4.704 -19.356
    6   HG21  ILE  13          HG21      ILE  13   6.357   7.586 -17.380
    7   HG23  ILE  13          HG22      ILE  13   4.735   8.040 -17.904
    8   HG22  ILE  13          HG23      ILE  13   5.872   7.345 -19.059
    9   HD13  ILE  13          HD11      ILE  13   7.626   5.860 -19.205
   10   HD12  ILE  13          HD12      ILE  13   8.036   4.429 -18.261
   11   HD11  ILE  13          HD13      ILE  13   7.575   5.921 -17.445

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   15
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   15
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   15
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   15
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   15
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   15
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   15
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   15
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   15
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   15
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   15
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   15
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   15
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.076   7.005  -8.732
    4    HB3  HIS  52           HB3      HIS  52  -7.498   7.710  -9.501
    5    HD1  HIS  52           HD1      HIS  52  -9.778   6.426  -9.194
    6    HD2  HIS  52           HD2      HIS  52  -6.626   4.917  -6.922
    7    HE1  HIS  52           HE1      HIS  52 -10.810   4.884  -7.478
    8    HE2  HIS  52           HE2      HIS  52  -8.903   3.959  -6.076

  No H/Q in entry =           8
  In of MODEL   15
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   15
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   15
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   15
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.896   3.590 -12.098
    4    HG1  THR  56           HG1      THR  56 -11.559   4.286  -9.678
    5   HG21  THR  56          HG21      THR  56 -13.315   1.677 -10.758
    6   HG23  THR  56          HG22      THR  56 -13.815   3.365 -10.862
    7   HG22  THR  56          HG23      THR  56 -12.945   2.790  -9.442

  No H/Q in entry =           7
  In of MODEL   15
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.664  -1.972 -10.404
    4   HG12  ILE  59          HG12      ILE  59 -10.931  -4.342  -9.025
    5   HG13  ILE  59          HG13      ILE  59  -9.323  -4.412  -9.728
    6   HG22  ILE  59          HG21      ILE  59 -11.524  -1.703  -8.726
    7   HG21  ILE  59          HG22      ILE  59 -12.544  -2.651  -9.776
    8   HG23  ILE  59          HG23      ILE  59 -11.933  -1.097 -10.321
    9   HD11  ILE  59          HD11      ILE  59  -8.901  -2.228  -8.347
   10   HD13  ILE  59          HD12      ILE  59  -8.849  -3.789  -7.531
   11   HD12  ILE  59          HD13      ILE  59 -10.287  -2.778  -7.405

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   15
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   15
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   15
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   15
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   15
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU  74           H        LEU  74  -3.309  -7.011 -13.426
    2    HA   LEU  74           HA       LEU  74  -3.951  -4.381 -12.840
    3    HB2  LEU  74           HB2      LEU  74  -5.595  -6.160 -12.878
    4    HB3  LEU  74           HB3      LEU  74  -4.804  -6.980 -11.538
    5    HG   LEU  74           HG       LEU  74  -5.336  -5.057 -10.071
    6   HD12  LEU  74          HD11      LEU  74  -7.155  -3.493 -11.097
    7   HD11  LEU  74          HD12      LEU  74  -6.501  -4.016 -12.648
    8   HD13  LEU  74          HD13      LEU  74  -5.465  -3.183 -11.490
    9   HD22  LEU  74          HD21      LEU  74  -7.520  -5.799  -9.668
   10   HD21  LEU  74          HD22      LEU  74  -6.936  -7.095 -10.697
   11   HD23  LEU  74          HD23      LEU  74  -7.930  -5.815 -11.382

  No H/Q in entry =          11
  In of MODEL   15
    1    H    VAL  75           H        VAL  75  -2.320  -6.762 -10.877
    2    HA   VAL  75           HA       VAL  75  -2.197  -5.208  -8.490
    3    HB   VAL  75           HB       VAL  75  -0.420  -7.482  -9.413
    4   HG12  VAL  75          HG11      VAL  75  -0.249  -7.629  -6.774
    5   HG11  VAL  75          HG12      VAL  75  -0.629  -5.910  -6.867
    6   HG13  VAL  75          HG13      VAL  75   0.804  -6.541  -7.678
    7   HG21  VAL  75          HG21      VAL  75  -2.968  -7.369  -7.763
    8   HG23  VAL  75          HG22      VAL  75  -1.896  -8.770  -7.768
    9   HG22  VAL  75          HG23      VAL  75  -2.690  -8.262  -9.257

  No H/Q in entry =           9
  In of MODEL   15
    1    H    HIS  76           H        HIS  76   0.121  -5.666 -11.287
    2    HA   HIS  76           HA       HIS  76   2.285  -4.205 -10.294
    3    HB2  HIS  76           HB2      HIS  76   2.221  -5.536 -12.445
    4    HB3  HIS  76           HB3      HIS  76   1.383  -4.167 -13.177
    5    HD1  HIS  76           HD1      HIS  76   3.286  -3.369 -14.686
    6    HD2  HIS  76           HD2      HIS  76   4.417  -3.677 -10.686
    7    HE1  HIS  76           HE1      HIS  76   5.568  -2.287 -14.502

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ALA  77           H        ALA  77  -0.579  -3.087 -12.076
    2    HA   ALA  77           HA       ALA  77   0.201  -0.337 -12.083
    3    HB1  ALA  77           HB1      ALA  77  -1.386  -0.817 -13.714
    4    HB2  ALA  77           HB2      ALA  77  -2.386  -0.080 -12.463
    5    HB3  ALA  77           HB3      ALA  77  -2.344  -1.834 -12.637

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLN  78           H        GLN  78  -1.826  -2.329  -9.963
    2    HA   GLN  78           HA       GLN  78  -2.766  -0.213  -8.329
    3    HB2  GLN  78           HB2      GLN  78  -3.649  -2.613  -8.489
    4    HB3  GLN  78           HB3      GLN  78  -2.321  -3.058  -7.418
    5    HG2  GLN  78           HG2      GLN  78  -3.121  -1.392  -5.769
    6    HG3  GLN  78           HG3      GLN  78  -4.481  -1.020  -6.825
    7   HE21  GLN  78          HE21      GLN  78  -5.587  -1.839  -4.648
    8   HE22  GLN  78          HE22      GLN  78  -5.942  -3.498  -4.599

  No H/Q in entry =           8
  In of MODEL   15
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   15
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.302   0.909 -10.477
    4    HB3  HIS  80           HB3      HIS  80   2.988   2.522 -10.287
    5    HD1  HIS  80           HD1      HIS  80   5.443   2.727 -10.637
    6    HD2  HIS  80           HD2      HIS  80   4.327  -1.209  -9.836
    7    HE1  HIS  80           HE1      HIS  80   7.546   1.322 -10.866
    8    HE2  HIS  80           HE2      HIS  80   6.878  -1.082 -10.381

  No H/Q in entry =           8
  In of MODEL   15
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   15
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   15
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   15
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   15
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   15
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   15
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   15
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   15
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   15
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   15
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   15
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   15
    1    H    PHE   9           H        PHE   9 -21.290   0.632  -3.919
    2    HA   PHE   9           HA       PHE   9 -18.527   1.517  -4.542
    3    HB2  PHE   9           HB2      PHE   9 -20.344   2.426  -2.303
    4    HB3  PHE   9           HB3      PHE   9 -18.635   2.838  -2.434
    5    HD1  PHE   9           HD1      PHE   9 -21.991   3.477  -3.688
    6    HD2  PHE   9           HD2      PHE   9 -17.812   4.189  -4.369
    7    HE1  PHE   9           HE1      PHE   9 -22.560   5.334  -5.227
    8    HE2  PHE   9           HE2      PHE   9 -18.381   6.046  -5.913
    9    HZ   PHE   9           HZ       PHE   9 -20.756   6.618  -6.342

  No H/Q in entry =           9
  In of MODEL   15
    1    H    CYS  10           H        CYS  10 -16.927   0.860  -3.268
    2    HA   CYS  10           HA       CYS  10 -17.243  -0.883  -0.971
    3    HB2  CYS  10           HB2      CYS  10 -16.052  -2.750  -1.794
    4    HB3  CYS  10           HB3      CYS  10 -17.148  -2.341  -3.117

  No H/Q in entry =           4
  In of MODEL   15
    1    H    SER  11           H        SER  11 -14.266  -1.585  -0.778
    2    HA   SER  11           HA       SER  11 -13.534   1.132  -0.108
    3    HB2  SER  11           HB2      SER  11 -11.215  -0.203   0.201
    4    HB3  SER  11           HB3      SER  11 -12.478  -0.206   1.414
    5    HG   SER  11           HG       SER  11 -13.045  -2.197   0.850

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA  12           H        ALA  12 -12.111  -1.316  -2.382
    2    HA   ALA  12           HA       ALA  12 -10.713   0.931  -3.672
    3    HB1  ALA  12           HB1      ALA  12  -9.980  -1.788  -3.011
    4    HB3  ALA  12           HB2      ALA  12  -8.955  -0.461  -3.552
    5    HB2  ALA  12           HB3      ALA  12  -9.764  -1.487  -4.735

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  13           H        GLY  13 -12.885  -1.764  -4.252
    2    HA3  GLY  13           HA2      GLY  13 -14.648  -1.437  -5.903
    3    HA2  GLY  13           HA3      GLY  13 -13.443  -0.682  -6.940

  No H/Q in entry =           3
  In of MODEL   15
    1    H    MET  14           H        MET  14 -12.647  -3.656  -5.158
    2    HA   MET  14           HA       MET  14 -12.489  -4.964  -7.795
    3    HB2  MET  14           HB2      MET  14 -10.415  -4.737  -6.374
    4    HB3  MET  14           HB3      MET  14 -11.156  -5.874  -5.247
    5    HG2  MET  14           HG2      MET  14 -11.332  -7.557  -7.018
    6    HG3  MET  14           HG3      MET  14 -10.672  -6.420  -8.192
    7    HE2  MET  14           HE1      MET  14  -7.716  -8.831  -7.923
    8    HE1  MET  14           HE2      MET  14  -8.872  -7.992  -8.953
    9    HE3  MET  14           HE3      MET  14  -9.431  -9.255  -7.860

  No H/Q in entry =           9
  In of MODEL   15
    1    H    SER  15           H        SER  15 -12.829  -6.317  -4.543
    2    HA   SER  15           HA       SER  15 -14.084  -8.639  -5.210
    3    HB2  SER  15           HB2      SER  15 -13.438  -7.734  -2.871
    4    HB3  SER  15           HB3      SER  15 -15.094  -7.127  -2.826
    5    HG   SER  15           HG       SER  15 -15.459  -9.468  -3.664

  No H/Q in entry =           5
  In of MODEL   15
    1    H    THR  16           H        THR  16 -15.514  -5.450  -5.458
    2    HA   THR  16           HA       THR  16 -18.195  -6.666  -5.629
    3    HB   THR  16           HB       THR  16 -17.435  -3.751  -5.941
    4    HG1  THR  16           HG1      THR  16 -16.870  -4.587  -3.886
    5   HG22  THR  16          HG21      THR  16 -19.914  -3.626  -5.106
    6   HG21  THR  16          HG22      THR  16 -20.002  -5.292  -5.681
    7   HG23  THR  16          HG23      THR  16 -19.593  -3.993  -6.802

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   15
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   15
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   15
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   15
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   15
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   15
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   15
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   15
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   15
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   15
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   15
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   15
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   15
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   15
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   15
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   15
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   15
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   15
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   15
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   15
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   15
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   15
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   15
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   15
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   15
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   15
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   15
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   15
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   15
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   15
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   15
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   15
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   15
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   15
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   16
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.287 -14.281  -2.731
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.930  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.577 -11.559  -2.350
    6    HG3  GLU   5           HG3      GLU   5 -13.138 -11.872  -3.321

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   16
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   16
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   16
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.711  -8.425   1.553
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.703   1.332
    5    HG2  MET   9           HG2      MET   9 -14.259  -6.817  -0.978
    6    HG3  MET   9           HG3      MET   9 -13.812  -8.510  -0.775
    7    HE1  MET   9           HE1      MET   9 -16.299  -5.840  -0.821
    8    HE3  MET   9           HE2      MET   9 -17.236  -6.568   0.480
    9    HE2  MET   9           HE3      MET   9 -17.878  -6.556  -1.156

  No H/Q in entry =           9
  In of MODEL   16
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.958  -4.313   1.271
    4   HG12  ILE  12          HG12      ILE  12  -9.580  -6.244   0.901
    5   HG13  ILE  12          HG13      ILE  12  -9.592  -5.336  -0.598
    6   HG23  ILE  12          HG21      ILE  12 -10.134  -3.017  -0.641
    7   HG22  ILE  12          HG22      ILE  12  -8.636  -2.679   0.230
    8   HG21  ILE  12          HG23      ILE  12 -10.179  -2.060   0.833
    9   HD11  ILE  12          HD11      ILE  12  -7.388  -4.298   0.258
   10   HD13  ILE  12          HD12      ILE  12  -7.344  -5.968  -0.277
   11   HD12  ILE  12          HD13      ILE  12  -7.405  -5.596   1.440

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.236
    4   HG12  ILE  13          HG12      ILE  13 -13.491  -3.071   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.920  -3.529   3.577
    6   HG22  ILE  13          HG21      ILE  13 -15.151  -1.913   5.739
    7   HG21  ILE  13          HG22      ILE  13 -13.953  -0.663   5.401
    8   HG23  ILE  13          HG23      ILE  13 -13.693  -1.800   6.725
    9   HD13  ILE  13          HD11      ILE  13 -15.797  -1.375   3.550
   10   HD12  ILE  13          HD12      ILE  13 -14.944  -1.389   2.011
   11   HD11  ILE  13          HD13      ILE  13 -14.208  -0.625   3.417

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   16
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   16
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   16
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   16
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   16
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   16
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   16
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   16
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   16
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   16
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   16
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   16
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   16
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.938  -6.672  10.556
    4    HB3  HIS  52           HB3      HIS  52  -1.116  -7.740  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.197 -10.084  11.785
    6    HD2  HIS  52           HD2      HIS  52   1.309  -7.198   8.990
    7    HE1  HIS  52           HE1      HIS  52   2.418 -10.834  10.827
    8    HE2  HIS  52           HE2      HIS  52   3.111  -9.084   9.122

  No H/Q in entry =           8
  In of MODEL   16
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   16
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   16
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   16
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.218  10.983
    4    HG1  THR  56           HG1      THR  56   0.546 -12.538  11.403
    5   HG23  THR  56          HG21      THR  56   0.898 -15.177  11.671
    6   HG22  THR  56          HG22      THR  56   1.849 -14.279  10.489
    7   HG21  THR  56          HG23      THR  56   0.926 -15.694   9.986

  No H/Q in entry =           7
  In of MODEL   16
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.299 -14.625   4.869
    4   HG12  ILE  59          HG12      ILE  59   2.434 -16.289   3.525
    5   HG13  ILE  59          HG13      ILE  59   1.205 -15.422   2.617
    6   HG23  ILE  59          HG21      ILE  59   1.933 -14.946   6.441
    7   HG22  ILE  59          HG22      ILE  59   2.574 -16.359   5.646
    8   HG21  ILE  59          HG23      ILE  59   1.139 -16.497   6.649
    9   HD12  ILE  59          HD11      ILE  59   3.329 -14.276   4.424
   10   HD11  ILE  59          HD12      ILE  59   1.910 -13.343   3.948
   11   HD13  ILE  59          HD13      ILE  59   3.037 -13.919   2.722

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   16
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   16
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   16
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   16
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   16
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU  74           H        LEU  74  -4.290 -13.683  -2.350
    2    HA   LEU  74           HA       LEU  74  -3.890 -12.590   0.163
    3    HB2  LEU  74           HB2      LEU  74  -2.985 -14.734  -0.550
    4    HB3  LEU  74           HB3      LEU  74  -1.941 -13.935  -1.720
    5    HG   LEU  74           HG       LEU  74  -0.792 -12.773   0.157
    6   HD11  LEU  74          HD11      LEU  74  -2.795 -14.381   1.729
    7   HD13  LEU  74          HD12      LEU  74  -2.360 -12.683   1.908
    8   HD12  LEU  74          HD13      LEU  74  -1.249 -13.940   2.452
    9   HD21  LEU  74          HD21      LEU  74  -0.263 -15.190  -0.830
   10   HD23  LEU  74          HD22      LEU  74  -0.731 -15.712   0.779
   11   HD22  LEU  74          HD23      LEU  74   0.610 -14.591   0.579

  No H/Q in entry =          11
  In of MODEL   16
    1    H    VAL  75           H        VAL  75  -2.639 -11.595  -2.922
    2    HA   VAL  75           HA       VAL  75  -0.694  -9.761  -1.888
    3    HB   VAL  75           HB       VAL  75  -1.992  -9.870  -4.629
    4   HG12  VAL  75          HG11      VAL  75   0.435  -8.835  -5.077
    5   HG11  VAL  75          HG12      VAL  75   0.213  -8.260  -3.426
    6   HG13  VAL  75          HG13      VAL  75  -0.948  -7.819  -4.676
    7   HG22  VAL  75          HG21      VAL  75  -0.083 -11.214  -5.306
    8   HG21  VAL  75          HG22      VAL  75  -0.806 -11.981  -3.892
    9   HG23  VAL  75          HG23      VAL  75   0.665 -11.025  -3.720

  No H/Q in entry =           9
  In of MODEL   16
    1    H    HIS  76           H        HIS  76  -4.300  -9.348  -3.225
    2    HA   HIS  76           HA       HIS  76  -4.629  -6.577  -3.117
    3    HB2  HIS  76           HB2      HIS  76  -6.360  -8.113  -4.023
    4    HB3  HIS  76           HB3      HIS  76  -6.718  -8.659  -2.390
    5    HD1  HIS  76           HD1      HIS  76  -6.025  -5.069  -2.351
    6    HD2  HIS  76           HD2      HIS  76  -9.396  -7.414  -3.159
    7    HE1  HIS  76           HE1      HIS  76  -8.039  -3.517  -2.220

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ALA  77           H        ALA  77  -4.674  -8.967  -0.568
    2    HA   ALA  77           HA       ALA  77  -5.509  -7.075   1.469
    3    HB3  ALA  77           HB1      ALA  77  -6.216  -9.235   1.983
    4    HB2  ALA  77           HB2      ALA  77  -4.769  -9.074   2.978
    5    HB1  ALA  77           HB3      ALA  77  -4.698  -9.970   1.462

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLN  78           H        GLN  78  -2.473  -8.758   0.563
    2    HA   GLN  78           HA       GLN  78  -0.915  -7.674   2.655
    3    HB2  GLN  78           HB2      GLN  78  -0.356  -9.632   1.103
    4    HB3  GLN  78           HB3      GLN  78   0.133  -8.418  -0.078
    5    HG2  GLN  78           HG2      GLN  78   1.723  -7.478   1.562
    6    HG3  GLN  78           HG3      GLN  78   1.256  -8.720   2.721
    7   HE21  GLN  78          HE21      GLN  78   3.953  -8.576   1.864
    8   HE22  GLN  78          HE22      GLN  78   4.294  -9.921   0.886

  No H/Q in entry =           8
  In of MODEL   16
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   16
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.202   1.172
    4    HB3  HIS  80           HB3      HIS  80  -5.388  -2.807   2.203
    5    HD1  HIS  80           HD1      HIS  80  -6.574  -0.852   1.164
    6    HD2  HIS  80           HD2      HIS  80  -5.182  -3.544  -1.699
    7    HE1  HIS  80           HE1      HIS  80  -7.489  -0.062  -1.069
    8    HE2  HIS  80           HE2      HIS  80  -6.647  -1.697  -2.824

  No H/Q in entry =           8
  In of MODEL   16
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   16
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   16
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   16
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   16
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   16
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   16
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   16
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.422 -20.431  -4.408
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.476
    5    HG2  GLU   5           HG2      GLU   5  10.902 -19.847  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.487 -19.332  -2.388

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   16
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   16
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   16
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.040 -16.705   0.860
    4    HB3  MET   9           HB3      MET   9  13.725 -16.163   2.508
    5    HG2  MET   9           HG2      MET   9  11.335 -16.592   2.231
    6    HG3  MET   9           HG3      MET   9  11.590 -17.046   0.545
    7    HE1  MET   9           HE1      MET   9  12.166 -17.578   4.129
    8    HE3  MET   9           HE2      MET   9  13.830 -18.082   3.845
    9    HE2  MET   9           HE3      MET   9  12.634 -19.266   4.367

  No H/Q in entry =           9
  In of MODEL   16
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.944   2.337
    4   HG12  ILE  12          HG12      ILE  12  10.805 -12.049   0.175
    5   HG13  ILE  12          HG13      ILE  12   9.355 -11.908   1.150
    6   HG22  ILE  12          HG21      ILE  12   9.500 -11.468   3.411
    7   HG21  ILE  12          HG22      ILE  12   9.695  -9.763   3.008
    8   HG23  ILE  12          HG23      ILE  12  10.820 -10.542   4.119
    9   HD11  ILE  12          HD11      ILE  12   9.514  -9.391   0.699
   10   HD13  ILE  12          HD12      ILE  12   9.083 -10.407  -0.665
   11   HD12  ILE  12          HD13      ILE  12  10.727  -9.804  -0.503

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.106 -11.632   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.813 -12.621   4.652
    5   HG13  ILE  13          HG13      ILE  13  15.290 -13.529   4.953
    6   HG22  ILE  13          HG21      ILE  13  17.078 -11.965   6.203
    7   HG21  ILE  13          HG22      ILE  13  16.109 -10.569   6.673
    8   HG23  ILE  13          HG23      ILE  13  17.359 -10.401   5.440
    9   HD13  ILE  13          HD11      ILE  13  15.248 -13.104   7.230
   10   HD12  ILE  13          HD12      ILE  13  13.518 -13.076   6.896
   11   HD11  ILE  13          HD13      ILE  13  14.414 -11.564   7.029

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   16
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   16
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   16
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   16
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   16
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   16
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   16
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   16
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   16
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   16
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   16
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   16
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   16
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.305  -1.676  -5.690
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.644
    5    HD1  HIS  52           HD1      HIS  52  17.438  -2.050  -9.299
    6    HD2  HIS  52           HD2      HIS  52  14.053  -0.914  -7.147
    7    HE1  HIS  52           HE1      HIS  52  15.778  -1.163 -10.992
    8    HE2  HIS  52           HE2      HIS  52  13.709  -0.464  -9.697

  No H/Q in entry =           8
  In of MODEL   16
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   16
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   16
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   16
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.064
    4    HG1  THR  56           HG1      THR  56  17.295  -3.189 -11.530
    5   HG23  THR  56          HG21      THR  56  17.769  -4.153 -13.978
    6   HG22  THR  56          HG22      THR  56  16.187  -3.479 -13.591
    7   HG21  THR  56          HG23      THR  56  16.312  -5.103 -14.263

  No H/Q in entry =           7
  In of MODEL   16
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.797  -7.174 -12.516
    4   HG12  ILE  59          HG12      ILE  59   9.952  -6.979 -14.902
    5   HG13  ILE  59          HG13      ILE  59   9.511  -7.843 -13.437
    6   HG23  ILE  59          HG21      ILE  59  12.593  -5.445 -13.789
    7   HG22  ILE  59          HG22      ILE  59  11.824  -6.019 -15.246
    8   HG21  ILE  59          HG23      ILE  59  13.333  -6.742 -14.711
    9   HD12  ILE  59          HD11      ILE  59  10.111  -4.906 -13.746
   10   HD11  ILE  59          HD12      ILE  59  10.127  -5.697 -12.170
   11   HD13  ILE  59          HD13      ILE  59   8.643  -5.658 -13.122

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   16
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   16
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   16
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   16
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   16
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU  74           H        LEU  74   7.003 -13.171  -8.615
    2    HA   LEU  74           HA       LEU  74   8.955 -11.253  -8.145
    3    HB2  LEU  74           HB2      LEU  74   8.277 -11.980 -10.366
    4    HB3  LEU  74           HB3      LEU  74   6.673 -11.294 -10.133
    5    HG   LEU  74           HG       LEU  74   7.716  -9.039  -9.926
    6   HD11  LEU  74          HD11      LEU  74  10.191 -10.688 -10.407
    7   HD13  LEU  74          HD12      LEU  74   9.924  -9.425  -9.207
    8   HD12  LEU  74          HD13      LEU  74  10.139  -8.998 -10.904
    9   HD21  LEU  74          HD21      LEU  74   6.964 -10.292 -12.151
   10   HD23  LEU  74          HD22      LEU  74   8.679 -10.233 -12.511
   11   HD22  LEU  74          HD23      LEU  74   7.791  -8.739 -12.241

  No H/Q in entry =          11
  In of MODEL   16
    1    H    VAL  75           H        VAL  75   5.485 -11.039  -7.852
    2    HA   VAL  75           HA       VAL  75   5.355  -8.238  -7.334
    3    HB   VAL  75           HB       VAL  75   3.435 -10.456  -6.557
    4   HG12  VAL  75          HG11      VAL  75   1.860  -8.323  -6.746
    5   HG11  VAL  75          HG12      VAL  75   3.348  -7.471  -6.338
    6   HG13  VAL  75          HG13      VAL  75   2.706  -8.695  -5.245
    7   HG22  VAL  75          HG21      VAL  75   2.231  -9.866  -8.593
    8   HG21  VAL  75          HG22      VAL  75   3.906 -10.203  -9.025
    9   HG23  VAL  75          HG23      VAL  75   3.346  -8.537  -8.911

  No H/Q in entry =           9
  In of MODEL   16
    1    H    HIS  76           H        HIS  76   5.568 -11.173  -5.148
    2    HA   HIS  76           HA       HIS  76   5.284  -9.897  -2.677
    3    HB2  HIS  76           HB2      HIS  76   5.510 -12.419  -3.198
    4    HB3  HIS  76           HB3      HIS  76   7.249 -12.139  -3.088
    5    HD1  HIS  76           HD1      HIS  76   7.902 -12.977  -0.821
    6    HD2  HIS  76           HD2      HIS  76   4.422 -10.686  -0.673
    7    HE1  HIS  76           HE1      HIS  76   7.305 -12.739   1.628

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ALA  77           H        ALA  77   8.196 -10.430  -4.636
    2    HA   ALA  77           HA       ALA  77   9.970  -9.145  -2.801
    3    HB1  ALA  77           HB1      ALA  77  11.091 -10.541  -4.280
    4    HB3  ALA  77           HB2      ALA  77  11.387  -8.961  -5.004
    5    HB2  ALA  77           HB3      ALA  77  10.139 -10.013  -5.669

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLN  78           H        GLN  78   8.179  -8.060  -5.671
    2    HA   GLN  78           HA       GLN  78   9.301  -5.461  -5.779
    3    HB2  GLN  78           HB2      GLN  78   7.933  -6.691  -7.569
    4    HB3  GLN  78           HB3      GLN  78   6.507  -6.189  -6.662
    5    HG2  GLN  78           HG2      GLN  78   7.214  -3.834  -6.865
    6    HG3  GLN  78           HG3      GLN  78   8.622  -4.340  -7.796
    7   HE21  GLN  78          HE21      GLN  78   6.727  -2.590  -8.974
    8   HE22  GLN  78          HE22      GLN  78   5.893  -3.425 -10.195

  No H/Q in entry =           8
  In of MODEL   16
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   16
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.163  -7.454  -0.516
    4    HB3  HIS  80           HB3      HIS  80  10.041  -6.565   0.731
    5    HD1  HIS  80           HD1      HIS  80   9.316  -6.890   3.113
    6    HD2  HIS  80           HD2      HIS  80   6.537  -8.417   0.406
    7    HE1  HIS  80           HE1      HIS  80   7.566  -8.112   4.491
    8    HE2  HIS  80           HE2      HIS  80   5.866  -9.047   2.850

  No H/Q in entry =           8
  In of MODEL   16
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   16
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   16
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   16
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   16
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   16
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   16
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   16
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.105  -6.382 -21.732
    4    HB3  GLU   5           HB3      GLU   5   0.421  -5.149 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.483  -4.496 -21.793
    6    HG3  GLU   5           HG3      GLU   5   2.164  -5.681 -20.529

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   16
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   16
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   16
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.886   0.440 -21.001
    4    HB3  MET   9           HB3      MET   9   4.429   1.166 -20.550
    5    HG2  MET   9           HG2      MET   9   5.204  -0.968 -19.641
    6    HG3  MET   9           HG3      MET   9   3.641  -1.707 -19.987
    7    HE1  MET   9           HE1      MET   9   6.717  -0.052 -21.098
    8    HE3  MET   9           HE2      MET   9   5.858   0.823 -22.363
    9    HE2  MET   9           HE3      MET   9   6.982  -0.462 -22.798

  No H/Q in entry =           9
  In of MODEL   16
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.496   1.699 -15.884
    4   HG12  ILE  12          HG12      ILE  12   2.942   0.062 -15.303
    5   HG13  ILE  12          HG13      ILE  12   4.379  -0.527 -14.494
    6   HG22  ILE  12          HG21      ILE  12   6.288   0.747 -14.456
    7   HG21  ILE  12          HG22      ILE  12   5.609   1.600 -13.069
    8   HG23  ILE  12          HG23      ILE  12   6.261   2.510 -14.430
    9   HD11  ILE  12          HD11      ILE  12   3.511   0.678 -12.421
   10   HD13  ILE  12          HD12      ILE  12   2.587  -0.721 -12.942
   11   HD12  ILE  12          HD13      ILE  12   2.011   0.900 -13.308

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.815 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.822   3.926 -17.791
    5   HG13  ILE  13          HG13      ILE  13   5.621   4.705 -19.358
    6   HG22  ILE  13          HG21      ILE  13   5.794   7.366 -19.081
    7   HG21  ILE  13          HG22      ILE  13   6.417   7.545 -17.441
    8   HG23  ILE  13          HG23      ILE  13   4.771   8.052 -17.819
    9   HD13  ILE  13          HD11      ILE  13   7.633   5.840 -19.203
   10   HD12  ILE  13          HD12      ILE  13   8.029   4.414 -18.245
   11   HD11  ILE  13          HD13      ILE  13   7.571   5.915 -17.443

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   16
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   16
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   16
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   16
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   16
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   16
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   16
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   16
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   16
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   16
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   16
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   16
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   16
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.028  -8.746
    4    HB3  HIS  52           HB3      HIS  52  -7.522   7.697  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.736   6.184  -9.292
    6    HD2  HIS  52           HD2      HIS  52  -6.585   5.119  -6.780
    7    HE1  HIS  52           HE1      HIS  52 -10.717   4.674  -7.518
    8    HE2  HIS  52           HE2      HIS  52  -8.811   4.019  -5.970

  No H/Q in entry =           8
  In of MODEL   16
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   16
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   16
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   16
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.898   3.589 -12.098
    4    HG1  THR  56           HG1      THR  56 -11.537   4.563  -9.959
    5   HG23  THR  56          HG21      THR  56 -13.821   3.360 -10.851
    6   HG22  THR  56          HG22      THR  56 -12.943   2.779  -9.437
    7   HG21  THR  56          HG23      THR  56 -13.302   1.677 -10.765

  No H/Q in entry =           7
  In of MODEL   16
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.638  -2.001 -10.396
    4   HG12  ILE  59          HG12      ILE  59 -11.018  -4.274  -8.974
    5   HG13  ILE  59          HG13      ILE  59  -9.442  -4.482  -9.720
    6   HG23  ILE  59          HG21      ILE  59 -11.653  -0.914 -10.088
    7   HG22  ILE  59          HG22      ILE  59 -11.659  -1.952  -8.686
    8   HG21  ILE  59          HG23      ILE  59 -12.599  -2.392 -10.102
    9   HD12  ILE  59          HD11      ILE  59 -10.209  -2.735  -7.408
   10   HD11  ILE  59          HD12      ILE  59  -8.820  -2.305  -8.404
   11   HD13  ILE  59          HD13      ILE  59  -8.850  -3.849  -7.554

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   16
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   16
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   16
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   16
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   16
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU  74           H        LEU  74  -3.312  -7.015 -13.423
    2    HA   LEU  74           HA       LEU  74  -3.952  -4.383 -12.843
    3    HB2  LEU  74           HB2      LEU  74  -5.578  -6.199 -12.877
    4    HB3  LEU  74           HB3      LEU  74  -4.803  -6.960 -11.493
    5    HG   LEU  74           HG       LEU  74  -5.360  -4.951 -10.128
    6   HD11  LEU  74          HD11      LEU  74  -6.577  -4.119 -12.754
    7   HD13  LEU  74          HD12      LEU  74  -5.562  -3.179 -11.662
    8   HD12  LEU  74          HD13      LEU  74  -7.239  -3.515 -11.237
    9   HD21  LEU  74          HD21      LEU  74  -6.884  -7.085 -10.579
   10   HD23  LEU  74          HD22      LEU  74  -7.919  -5.915 -11.380
   11   HD22  LEU  74          HD23      LEU  74  -7.524  -5.712  -9.678

  No H/Q in entry =          11
  In of MODEL   16
    1    H    VAL  75           H        VAL  75  -2.306  -6.756 -10.890
    2    HA   VAL  75           HA       VAL  75  -2.164  -5.205  -8.500
    3    HB   VAL  75           HB       VAL  75  -0.376  -7.465  -9.435
    4   HG12  VAL  75          HG11      VAL  75  -0.244  -7.625  -6.787
    5   HG11  VAL  75          HG12      VAL  75  -0.610  -5.904  -6.889
    6   HG13  VAL  75          HG13      VAL  75   0.828  -6.548  -7.680
    7   HG22  VAL  75          HG21      VAL  75  -1.835  -8.913  -8.128
    8   HG21  VAL  75          HG22      VAL  75  -2.845  -7.997  -9.247
    9   HG23  VAL  75          HG23      VAL  75  -2.756  -7.525  -7.551

  No H/Q in entry =           9
  In of MODEL   16
    1    H    HIS  76           H        HIS  76   0.119  -5.654 -11.326
    2    HA   HIS  76           HA       HIS  76   2.296  -4.195 -10.366
    3    HB2  HIS  76           HB2      HIS  76   2.067  -5.512 -12.574
    4    HB3  HIS  76           HB3      HIS  76   1.404  -4.017 -13.235
    5    HD1  HIS  76           HD1      HIS  76   3.165  -1.954 -11.796
    6    HD2  HIS  76           HD2      HIS  76   4.674  -5.414 -13.564
    7    HE1  HIS  76           HE1      HIS  76   5.608  -1.502 -12.283

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ALA  77           H        ALA  77  -0.596  -3.071 -12.087
    2    HA   ALA  77           HA       ALA  77   0.173  -0.317 -12.089
    3    HB1  ALA  77           HB1      ALA  77  -1.427  -0.800 -13.708
    4    HB2  ALA  77           HB2      ALA  77  -2.417  -0.069 -12.446
    5    HB3  ALA  77           HB3      ALA  77  -2.372  -1.822 -12.624

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLN  78           H        GLN  78  -1.844  -2.320  -9.959
    2    HA   GLN  78           HA       GLN  78  -2.765  -0.202  -8.319
    3    HB2  GLN  78           HB2      GLN  78  -3.653  -2.604  -8.481
    4    HB3  GLN  78           HB3      GLN  78  -2.330  -3.046  -7.403
    5    HG2  GLN  78           HG2      GLN  78  -3.133  -1.392  -5.755
    6    HG3  GLN  78           HG3      GLN  78  -4.474  -0.986  -6.823
    7   HE21  GLN  78          HE21      GLN  78  -5.012  -2.010  -4.232
    8   HE22  GLN  78          HE22      GLN  78  -5.656  -3.573  -4.383

  No H/Q in entry =           8
  In of MODEL   16
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   16
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.319   0.886 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.961   2.519 -10.293
    5    HD1  HIS  80           HD1      HIS  80   5.446   2.807 -10.454
    6    HD2  HIS  80           HD2      HIS  80   4.363  -1.192 -10.007
    7    HE1  HIS  80           HE1      HIS  80   7.577   1.451 -10.721
    8    HE2  HIS  80           HE2      HIS  80   6.928  -0.992 -10.452

  No H/Q in entry =           8
  In of MODEL   16
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   16
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   16
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   16
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   16
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   16
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   16
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   16
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   16
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   16
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   16
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   16
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   16
    1    H    PHE   9           H        PHE   9 -21.271   0.630  -3.904
    2    HA   PHE   9           HA       PHE   9 -18.516   1.525  -4.551
    3    HB2  PHE   9           HB2      PHE   9 -20.326   2.436  -2.307
    4    HB3  PHE   9           HB3      PHE   9 -18.618   2.849  -2.441
    5    HD1  PHE   9           HD1      PHE   9 -21.973   3.537  -3.627
    6    HD2  PHE   9           HD2      PHE   9 -17.801   4.141  -4.445
    7    HE1  PHE   9           HE1      PHE   9 -22.545   5.390  -5.171
    8    HE2  PHE   9           HE2      PHE   9 -18.374   5.994  -5.993
    9    HZ   PHE   9           HZ       PHE   9 -20.746   6.618  -6.355

  No H/Q in entry =           9
  In of MODEL   16
    1    H    CYS  10           H        CYS  10 -16.895   0.902  -3.245
    2    HA   CYS  10           HA       CYS  10 -17.167  -0.793  -0.927
    3    HB2  CYS  10           HB2      CYS  10 -16.102  -2.738  -1.736
    4    HB3  CYS  10           HB3      CYS  10 -17.232  -2.321  -3.028

  No H/Q in entry =           4
  In of MODEL   16
    1    H    SER  11           H        SER  11 -14.434  -1.485  -0.407
    2    HA   SER  11           HA       SER  11 -13.453   1.121   0.002
    3    HB2  SER  11           HB2      SER  11 -12.543  -0.480   1.451
    4    HB3  SER  11           HB3      SER  11 -12.141  -1.577   0.147
    5    HG   SER  11           HG       SER  11 -10.543   0.104   1.247

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA  12           H        ALA  12 -12.182  -1.355  -2.362
    2    HA   ALA  12           HA       ALA  12 -10.795   0.891  -3.663
    3    HB1  ALA  12           HB1      ALA  12 -10.074  -1.833  -3.044
    4    HB3  ALA  12           HB2      ALA  12  -9.055  -0.525  -3.641
    5    HB2  ALA  12           HB3      ALA  12  -9.932  -1.547  -4.778

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  13           H        GLY  13 -12.866  -1.903  -4.325
    2    HA3  GLY  13           HA2      GLY  13 -14.701  -1.506  -5.930
    3    HA2  GLY  13           HA3      GLY  13 -13.507  -0.717  -6.953

  No H/Q in entry =           3
  In of MODEL   16
    1    H    MET  14           H        MET  14 -12.732  -3.708  -5.204
    2    HA   MET  14           HA       MET  14 -12.560  -5.012  -7.847
    3    HB2  MET  14           HB2      MET  14 -10.471  -4.733  -6.438
    4    HB3  MET  14           HB3      MET  14 -11.172  -5.908  -5.325
    5    HG2  MET  14           HG2      MET  14 -11.320  -7.565  -7.121
    6    HG3  MET  14           HG3      MET  14 -10.707  -6.392  -8.284
    7    HE3  MET  14           HE1      MET  14  -7.808  -8.942  -7.916
    8    HE2  MET  14           HE2      MET  14  -8.600  -7.874  -9.072
    9    HE1  MET  14           HE3      MET  14  -9.554  -9.049  -8.172

  No H/Q in entry =           9
  In of MODEL   16
    1    H    SER  15           H        SER  15 -12.855  -6.329  -4.562
    2    HA   SER  15           HA       SER  15 -14.098  -8.676  -5.204
    3    HB2  SER  15           HB2      SER  15 -13.434  -7.747  -2.880
    4    HB3  SER  15           HB3      SER  15 -15.089  -7.138  -2.829
    5    HG   SER  15           HG       SER  15 -15.851  -9.177  -2.955

  No H/Q in entry =           5
  In of MODEL   16
    1    H    THR  16           H        THR  16 -15.516  -5.485  -5.469
    2    HA   THR  16           HA       THR  16 -18.203  -6.694  -5.638
    3    HB   THR  16           HB       THR  16 -17.448  -3.777  -5.942
    4    HG1  THR  16           HG1      THR  16 -16.989  -4.019  -3.899
    5   HG21  THR  16          HG21      THR  16 -20.012  -5.321  -5.623
    6   HG23  THR  16          HG22      THR  16 -19.617  -4.057  -6.789
    7   HG22  THR  16          HG23      THR  16 -19.910  -3.639  -5.101

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   16
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   16
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   16
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   16
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   16
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   16
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   16
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   16
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   16
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   16
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   16
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   16
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   16
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   16
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   16
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   16
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   16
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   16
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   16
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   16
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   16
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   16
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   16
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   16
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   16
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   16
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   16
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   16
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   16
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   16
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   16
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   16
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   16
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   16
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   17
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.291 -14.289  -2.724
    4    HB3  GLU   5           HB3      GLU   5 -14.699 -13.920  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.577 -11.562  -2.371
    6    HG3  GLU   5           HG3      GLU   5 -13.120 -11.875  -3.314

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   17
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   17
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   17
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.707  -8.432   1.543
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.709   1.344
    5    HG2  MET   9           HG2      MET   9 -14.270  -6.791  -0.970
    6    HG3  MET   9           HG3      MET   9 -13.812  -8.484  -0.789
    7    HE2  MET   9           HE1      MET   9 -17.811  -6.480  -1.172
    8    HE1  MET   9           HE2      MET   9 -16.288  -5.854  -0.550
    9    HE3  MET   9           HE3      MET   9 -17.387  -6.702   0.527

  No H/Q in entry =           9
  In of MODEL   17
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   17
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.383   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.249  -6.174   0.968
    5   HG13  ILE  12          HG13      ILE  12  -9.699  -5.424  -0.551
    6   HG23  ILE  12          HG21      ILE  12 -10.250  -2.975  -0.595
    7   HG22  ILE  12          HG22      ILE  12  -8.739  -2.594   0.234
    8   HG21  ILE  12          HG23      ILE  12 -10.286  -2.067   0.910
    9   HD12  ILE  12          HD11      ILE  12  -7.161  -5.014   1.040
   10   HD11  ILE  12          HD12      ILE  12  -7.638  -3.970  -0.287
   11   HD13  ILE  12          HD13      ILE  12  -7.340  -5.679  -0.575

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.237
    4   HG12  ILE  13          HG12      ILE  13 -13.490  -3.065   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.916  -3.533   3.575
    6   HG23  ILE  13          HG21      ILE  13 -13.704  -1.812   6.727
    7   HG22  ILE  13          HG22      ILE  13 -15.154  -1.902   5.726
    8   HG21  ILE  13          HG23      ILE  13 -13.940  -0.662   5.410
    9   HD12  ILE  13          HD11      ILE  13 -14.983  -1.398   2.019
   10   HD11  ILE  13          HD12      ILE  13 -14.207  -0.627   3.396
   11   HD13  ILE  13          HD13      ILE  13 -15.790  -1.375   3.586

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   17
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   17
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   17
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   17
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   17
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   17
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   17
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   17
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   17
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   17
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   17
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   17
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   17
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   17
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   17
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   17
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.930  -6.675  10.546
    4    HB3  HIS  52           HB3      HIS  52  -1.123  -7.728  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.195 -10.061  11.844
    6    HD2  HIS  52           HD2      HIS  52   1.305  -7.252   8.972
    7    HE1  HIS  52           HE1      HIS  52   2.412 -10.841  10.901
    8    HE2  HIS  52           HE2      HIS  52   3.104  -9.137   9.149

  No H/Q in entry =           8
  In of MODEL   17
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   17
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   17
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   17
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.092 -14.230  10.983
    4    HG1  THR  56           HG1      THR  56  -0.046 -12.103   9.748
    5   HG21  THR  56          HG21      THR  56   1.000 -15.644   9.939
    6   HG23  THR  56          HG22      THR  56   0.871 -15.219  11.645
    7   HG22  THR  56          HG23      THR  56   1.846 -14.228  10.562

  No H/Q in entry =           7
  In of MODEL   17
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   17
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.633   4.910
    4   HG12  ILE  59          HG12      ILE  59   2.420 -16.228   3.472
    5   HG13  ILE  59          HG13      ILE  59   1.143 -15.386   2.609
    6   HG21  ILE  59          HG21      ILE  59   1.116 -16.010   6.801
    7   HG23  ILE  59          HG22      ILE  59   2.392 -15.066   6.081
    8   HG22  ILE  59          HG23      ILE  59   2.277 -16.784   5.739
    9   HD13  ILE  59          HD11      ILE  59   2.985 -13.865   2.698
   10   HD12  ILE  59          HD12      ILE  59   3.243 -14.183   4.413
   11   HD11  ILE  59          HD13      ILE  59   1.816 -13.291   3.888

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   17
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   17
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   17
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   17
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   17
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   17
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   17
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   17
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LEU  74           H        LEU  74  -4.286 -13.679  -2.345
    2    HA   LEU  74           HA       LEU  74  -3.880 -12.568   0.162
    3    HB2  LEU  74           HB2      LEU  74  -2.975 -14.713  -0.497
    4    HB3  LEU  74           HB3      LEU  74  -1.971 -13.956  -1.728
    5    HG   LEU  74           HG       LEU  74  -0.726 -12.760   0.041
    6   HD13  LEU  74          HD11      LEU  74  -2.249 -12.509   1.820
    7   HD12  LEU  74          HD12      LEU  74  -1.141 -13.742   2.418
    8   HD11  LEU  74          HD13      LEU  74  -2.720 -14.208   1.784
    9   HD21  LEU  74          HD21      LEU  74  -0.315 -15.259  -0.797
   10   HD23  LEU  74          HD22      LEU  74  -0.736 -15.649   0.861
   11   HD22  LEU  74          HD23      LEU  74   0.631 -14.592   0.532

  No H/Q in entry =          11
  In of MODEL   17
    1    H    VAL  75           H        VAL  75  -2.677 -11.574  -2.937
    2    HA   VAL  75           HA       VAL  75  -0.713  -9.744  -1.919
    3    HB   VAL  75           HB       VAL  75  -2.015  -9.772  -4.657
    4   HG11  VAL  75          HG11      VAL  75   0.362  -8.430  -3.434
    5   HG13  VAL  75          HG12      VAL  75  -0.792  -7.807  -4.612
    6   HG12  VAL  75          HG13      VAL  75   0.464  -8.934  -5.120
    7   HG21  VAL  75          HG21      VAL  75   0.188 -11.444  -3.451
    8   HG23  VAL  75          HG22      VAL  75   0.217 -11.062  -5.172
    9   HG22  VAL  75          HG23      VAL  75  -1.146 -11.946  -4.490

  No H/Q in entry =           9
  In of MODEL   17
    1    H    HIS  76           H        HIS  76  -4.314  -9.327  -3.274
    2    HA   HIS  76           HA       HIS  76  -4.643  -6.559  -3.171
    3    HB2  HIS  76           HB2      HIS  76  -6.371  -8.123  -4.063
    4    HB3  HIS  76           HB3      HIS  76  -6.745  -8.619  -2.418
    5    HD1  HIS  76           HD1      HIS  76  -6.010  -4.995  -2.760
    6    HD2  HIS  76           HD2      HIS  76  -9.418  -7.415  -2.961
    7    HE1  HIS  76           HE1      HIS  76  -8.019  -3.437  -2.613

  No H/Q in entry =           7
  In of MODEL   17
    1    H    ALA  77           H        ALA  77  -4.703  -8.939  -0.608
    2    HA   ALA  77           HA       ALA  77  -5.528  -7.037   1.423
    3    HB1  ALA  77           HB1      ALA  77  -4.731  -9.933   1.425
    4    HB3  ALA  77           HB2      ALA  77  -6.251  -9.197   1.930
    5    HB2  ALA  77           HB3      ALA  77  -4.816  -9.038   2.943

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLN  78           H        GLN  78  -2.499  -8.761   0.553
    2    HA   GLN  78           HA       GLN  78  -0.944  -7.687   2.643
    3    HB2  GLN  78           HB2      GLN  78  -0.374  -9.640   1.106
    4    HB3  GLN  78           HB3      GLN  78   0.091  -8.437  -0.096
    5    HG2  GLN  78           HG2      GLN  78   1.690  -7.464   1.527
    6    HG3  GLN  78           HG3      GLN  78   1.258  -8.717   2.687
    7   HE21  GLN  78          HE21      GLN  78   3.941  -8.511   1.761
    8   HE22  GLN  78          HE22      GLN  78   4.284  -9.856   0.784

  No H/Q in entry =           8
  In of MODEL   17
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   17
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.176
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.803   2.201
    5    HD1  HIS  80           HD1      HIS  80  -6.717  -0.961   1.174
    6    HD2  HIS  80           HD2      HIS  80  -5.037  -3.449  -1.719
    7    HE1  HIS  80           HE1      HIS  80  -7.594  -0.150  -1.067
    8    HE2  HIS  80           HE2      HIS  80  -6.576  -1.662  -2.840

  No H/Q in entry =           8
  In of MODEL   17
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   17
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   17
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   17
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   17
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   17
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   17
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   17
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   17
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   17
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.430 -20.436  -4.413
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.882  -3.465
    5    HG2  GLU   5           HG2      GLU   5  10.884 -19.861  -1.469
    6    HG3  GLU   5           HG3      GLU   5   9.489 -19.313  -2.398

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   17
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   17
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   17
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.034 -16.708   0.855
    4    HB3  MET   9           HB3      MET   9  13.733 -16.162   2.505
    5    HG2  MET   9           HG2      MET   9  11.338 -16.583   2.243
    6    HG3  MET   9           HG3      MET   9  11.583 -17.046   0.558
    7    HE2  MET   9           HE1      MET   9  12.591 -19.172   4.407
    8    HE1  MET   9           HE2      MET   9  12.399 -17.450   4.085
    9    HE3  MET   9           HE3      MET   9  13.956 -18.226   3.800

  No H/Q in entry =           9
  In of MODEL   17
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   17
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.312
    4   HG12  ILE  12          HG12      ILE  12  10.852 -11.569  -0.012
    5   HG13  ILE  12          HG13      ILE  12   9.634 -12.254   1.045
    6   HG22  ILE  12          HG21      ILE  12   9.511 -11.474   3.423
    7   HG21  ILE  12          HG22      ILE  12   9.735  -9.762   3.065
    8   HG23  ILE  12          HG23      ILE  12  10.860 -10.593   4.137
    9   HD12  ILE  12          HD11      ILE  12   9.861  -9.412   0.056
   10   HD11  ILE  12          HD12      ILE  12   8.815  -9.867   1.390
   11   HD13  ILE  12          HD13      ILE  12   8.557 -10.560  -0.205

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.105 -11.633   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.808 -12.616   4.662
    5   HG13  ILE  13          HG13      ILE  13  15.286 -13.529   4.947
    6   HG23  ILE  13          HG21      ILE  13  17.366 -10.410   5.434
    7   HG22  ILE  13          HG22      ILE  13  17.071 -11.965   6.211
    8   HG21  ILE  13          HG23      ILE  13  16.113 -10.556   6.666
    9   HD12  ILE  13          HD11      ILE  13  13.554 -13.116   6.917
   10   HD11  ILE  13          HD12      ILE  13  14.392 -11.570   7.032
   11   HD13  ILE  13          HD13      ILE  13  15.290 -13.075   7.225

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   17
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   17
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   17
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   17
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   17
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   17
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   17
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   17
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   17
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   17
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   17
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   17
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   17
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   17
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   17
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   17
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.292  -1.676  -5.697
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.630
    5    HD1  HIS  52           HD1      HIS  52  17.490  -2.013  -9.284
    6    HD2  HIS  52           HD2      HIS  52  14.045  -0.953  -7.189
    7    HE1  HIS  52           HE1      HIS  52  15.849  -1.138 -11.002
    8    HE2  HIS  52           HE2      HIS  52  13.743  -0.485  -9.741

  No H/Q in entry =           8
  In of MODEL   17
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   17
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   17
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   17
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.458 -12.074
    4    HG1  THR  56           HG1      THR  56  15.980  -4.105 -10.691
    5   HG21  THR  56          HG21      THR  56  16.235  -5.048 -14.255
    6   HG23  THR  56          HG22      THR  56  17.764  -4.208 -13.997
    7   HG22  THR  56          HG23      THR  56  16.246  -3.429 -13.557

  No H/Q in entry =           7
  In of MODEL   17
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   17
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.836  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.902  -6.979 -14.839
    5   HG13  ILE  59          HG13      ILE  59   9.524  -7.876 -13.376
    6   HG21  ILE  59          HG21      ILE  59  13.407  -6.454 -14.308
    7   HG23  ILE  59          HG22      ILE  59  12.106  -5.313 -14.087
    8   HG22  ILE  59          HG23      ILE  59  12.084  -6.410 -15.459
    9   HD13  ILE  59          HD11      ILE  59   8.637  -5.680 -13.048
   10   HD12  ILE  59          HD12      ILE  59  10.127  -4.928 -13.617
   11   HD11  ILE  59          HD13      ILE  59  10.101  -5.771 -12.069

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   17
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   17
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   17
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   17
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   17
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   17
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   17
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   17
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LEU  74           H        LEU  74   7.012 -13.167  -8.614
    2    HA   LEU  74           HA       LEU  74   8.952 -11.240  -8.133
    3    HB2  LEU  74           HB2      LEU  74   8.307 -11.937 -10.360
    4    HB3  LEU  74           HB3      LEU  74   6.676 -11.318 -10.125
    5    HG   LEU  74           HG       LEU  74   7.592  -9.027  -9.929
    6   HD13  LEU  74          HD11      LEU  74   9.782  -9.287  -9.108
    7   HD12  LEU  74          HD12      LEU  74  10.046  -8.845 -10.793
    8   HD11  LEU  74          HD13      LEU  74  10.183 -10.530 -10.291
    9   HD21  LEU  74          HD21      LEU  74   7.021 -10.339 -12.178
   10   HD23  LEU  74          HD22      LEU  74   8.744 -10.164 -12.460
   11   HD22  LEU  74          HD23      LEU  74   7.744  -8.734 -12.237

  No H/Q in entry =          11
  In of MODEL   17
    1    H    VAL  75           H        VAL  75   5.479 -11.040  -7.856
    2    HA   VAL  75           HA       VAL  75   5.328  -8.246  -7.324
    3    HB   VAL  75           HB       VAL  75   3.412 -10.445  -6.493
    4   HG11  VAL  75          HG11      VAL  75   3.299  -7.448  -6.511
    5   HG13  VAL  75          HG12      VAL  75   2.696  -8.579  -5.301
    6   HG12  VAL  75          HG13      VAL  75   1.822  -8.361  -6.816
    7   HG21  VAL  75          HG21      VAL  75   3.833  -8.940  -9.068
    8   HG23  VAL  75          HG22      VAL  75   2.206  -9.450  -8.622
    9   HG22  VAL  75          HG23      VAL  75   3.480 -10.650  -8.823

  No H/Q in entry =           9
  In of MODEL   17
    1    H    HIS  76           H        HIS  76   5.552 -11.183  -5.141
    2    HA   HIS  76           HA       HIS  76   5.267  -9.909  -2.669
    3    HB2  HIS  76           HB2      HIS  76   5.407 -12.396  -3.048
    4    HB3  HIS  76           HB3      HIS  76   7.153 -12.206  -3.223
    5    HD1  HIS  76           HD1      HIS  76   5.286 -10.073  -0.781
    6    HD2  HIS  76           HD2      HIS  76   7.652 -13.505  -0.715
    7    HE1  HIS  76           HE1      HIS  76   5.850 -10.508   1.649

  No H/Q in entry =           7
  In of MODEL   17
    1    H    ALA  77           H        ALA  77   8.188 -10.443  -4.626
    2    HA   ALA  77           HA       ALA  77   9.948  -9.156  -2.780
    3    HB2  ALA  77           HB1      ALA  77  10.133 -10.023  -5.645
    4    HB1  ALA  77           HB2      ALA  77  11.075 -10.557  -4.252
    5    HB3  ALA  77           HB3      ALA  77  11.387  -8.978  -4.973

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLN  78           H        GLN  78   8.175  -8.074  -5.660
    2    HA   GLN  78           HA       GLN  78   9.303  -5.479  -5.776
    3    HB2  GLN  78           HB2      GLN  78   7.944  -6.697  -7.569
    4    HB3  GLN  78           HB3      GLN  78   6.511  -6.220  -6.659
    5    HG2  GLN  78           HG2      GLN  78   7.200  -3.852  -6.840
    6    HG3  GLN  78           HG3      GLN  78   8.599  -4.341  -7.794
    7   HE21  GLN  78          HE21      GLN  78   6.639  -2.597  -8.909
    8   HE22  GLN  78          HE22      GLN  78   5.811  -3.429 -10.136

  No H/Q in entry =           8
  In of MODEL   17
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   17
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.170  -7.451  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.038  -6.564   0.737
    5    HD1  HIS  80           HD1      HIS  80   9.402  -7.065   3.092
    6    HD2  HIS  80           HD2      HIS  80   6.440  -8.256   0.410
    7    HE1  HIS  80           HE1      HIS  80   7.622  -8.251   4.464
    8    HE2  HIS  80           HE2      HIS  80   5.810  -8.981   2.838

  No H/Q in entry =           8
  In of MODEL   17
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   17
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   17
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   17
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   17
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   17
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   17
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   17
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   17
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   17
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.097  -6.380 -21.740
    4    HB3  GLU   5           HB3      GLU   5   0.430  -5.143 -22.953
    5    HG2  GLU   5           HG2      GLU   5   2.492  -4.516 -21.795
    6    HG3  GLU   5           HG3      GLU   5   2.152  -5.675 -20.514

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   17
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   17
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   17
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.884   0.427 -20.999
    4    HB3  MET   9           HB3      MET   9   4.420   1.174 -20.555
    5    HG2  MET   9           HG2      MET   9   5.223  -0.946 -19.639
    6    HG3  MET   9           HG3      MET   9   3.668  -1.706 -19.975
    7    HE2  MET   9           HE1      MET   9   7.026  -0.450 -22.707
    8    HE1  MET   9           HE2      MET   9   6.583   0.149 -21.110
    9    HE3  MET   9           HE3      MET   9   5.804   0.818 -22.541

  No H/Q in entry =           9
  In of MODEL   17
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   17
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.476   1.687 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.668   0.276 -14.894
    5   HG13  ILE  12          HG13      ILE  12   4.215  -0.542 -14.948
    6   HG22  ILE  12          HG21      ILE  12   6.294   0.757 -14.466
    7   HG21  ILE  12          HG22      ILE  12   5.640   1.650 -13.092
    8   HG23  ILE  12          HG23      ILE  12   6.268   2.519 -14.491
    9   HD12  ILE  12          HD11      ILE  12   2.828   0.660 -12.554
   10   HD11  ILE  12          HD12      ILE  12   4.520   0.195 -12.533
   11   HD13  ILE  12          HD13      ILE  12   3.279  -1.015 -12.829

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.815 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.830   3.929 -17.785
    5   HG13  ILE  13          HG13      ILE  13   5.613   4.697 -19.355
    6   HG23  ILE  13          HG21      ILE  13   4.767   8.051 -17.831
    7   HG22  ILE  13          HG22      ILE  13   5.806   7.362 -19.079
    8   HG21  ILE  13          HG23      ILE  13   6.411   7.550 -17.433
    9   HD12  ILE  13          HD11      ILE  13   8.038   4.427 -18.313
   10   HD11  ILE  13          HD12      ILE  13   7.584   5.889 -17.437
   11   HD13  ILE  13          HD13      ILE  13   7.602   5.887 -19.200

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   17
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   17
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   17
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   17
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   17
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   17
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   17
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   17
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   17
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   17
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   17
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   17
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   17
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   17
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   17
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   17
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.017  -8.740
    4    HB3  HIS  52           HB3      HIS  52  -7.511   7.703  -9.500
    5    HD1  HIS  52           HD1      HIS  52  -9.750   6.250  -9.282
    6    HD2  HIS  52           HD2      HIS  52  -6.609   5.070  -6.810
    7    HE1  HIS  52           HE1      HIS  52 -10.755   4.737  -7.525
    8    HE2  HIS  52           HE2      HIS  52  -8.855   4.012  -6.001

  No H/Q in entry =           8
  In of MODEL   17
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   17
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   17
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   17
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.914   3.580 -12.100
    4    HG1  THR  56           HG1      THR  56 -10.111   3.456 -10.137
    5   HG21  THR  56          HG21      THR  56 -13.284   1.665 -10.689
    6   HG23  THR  56          HG22      THR  56 -13.817   3.337 -10.856
    7   HG22  THR  56          HG23      THR  56 -12.925   2.836  -9.421

  No H/Q in entry =           7
  In of MODEL   17
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   17
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.669  -1.966 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.929  -4.281  -8.949
    5   HG13  ILE  59          HG13      ILE  59  -9.384  -4.462  -9.766
    6   HG23  ILE  59          HG21      ILE  59 -11.930  -1.119 -10.313
    7   HG22  ILE  59          HG22      ILE  59 -11.498  -1.682  -8.720
    8   HG21  ILE  59          HG23      ILE  59 -12.550  -2.655  -9.735
    9   HD13  ILE  59          HD11      ILE  59  -8.770  -3.834  -7.581
   10   HD12  ILE  59          HD12      ILE  59 -10.077  -2.658  -7.464
   11   HD11  ILE  59          HD13      ILE  59  -8.681  -2.323  -8.487

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   17
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   17
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   17
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   17
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   17
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   17
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   17
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   17
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LEU  74           H        LEU  74  -3.309  -7.010 -13.412
    2    HA   LEU  74           HA       LEU  74  -3.936  -4.374 -12.825
    3    HB2  LEU  74           HB2      LEU  74  -5.585  -6.153 -12.853
    4    HB3  LEU  74           HB3      LEU  74  -4.792  -6.966 -11.510
    5    HG   LEU  74           HG       LEU  74  -5.314  -5.035 -10.053
    6   HD13  LEU  74          HD11      LEU  74  -5.429  -3.177 -11.493
    7   HD12  LEU  74          HD12      LEU  74  -7.118  -3.456 -11.073
    8   HD11  LEU  74          HD13      LEU  74  -6.494  -4.001 -12.630
    9   HD21  LEU  74          HD21      LEU  74  -6.927  -7.074 -10.651
   10   HD23  LEU  74          HD22      LEU  74  -7.910  -5.804 -11.358
   11   HD22  LEU  74          HD23      LEU  74  -7.500  -5.743  -9.648

  No H/Q in entry =          11
  In of MODEL   17
    1    H    VAL  75           H        VAL  75  -2.301  -6.764 -10.888
    2    HA   VAL  75           HA       VAL  75  -2.146  -5.240  -8.486
    3    HB   VAL  75           HB       VAL  75  -0.285  -7.440  -9.416
    4   HG11  VAL  75          HG11      VAL  75  -0.789  -6.028  -6.816
    5   HG13  VAL  75          HG12      VAL  75   0.743  -6.523  -7.535
    6   HG12  VAL  75          HG13      VAL  75  -0.311  -7.725  -6.791
    7   HG21  VAL  75          HG21      VAL  75  -3.033  -7.471  -8.172
    8   HG23  VAL  75          HG22      VAL  75  -1.894  -8.767  -7.803
    9   HG22  VAL  75          HG23      VAL  75  -2.389  -8.476  -9.469

  No H/Q in entry =           9
  In of MODEL   17
    1    H    HIS  76           H        HIS  76   0.153  -5.667 -11.305
    2    HA   HIS  76           HA       HIS  76   2.313  -4.195 -10.320
    3    HB2  HIS  76           HB2      HIS  76   2.274  -5.511 -12.466
    4    HB3  HIS  76           HB3      HIS  76   1.378  -4.178 -13.195
    5    HD1  HIS  76           HD1      HIS  76   4.040  -3.477 -10.660
    6    HD2  HIS  76           HD2      HIS  76   3.615  -3.400 -14.805
    7    HE1  HIS  76           HE1      HIS  76   6.062  -2.250 -11.564

  No H/Q in entry =           7
  In of MODEL   17
    1    H    ALA  77           H        ALA  77  -0.566  -3.083 -12.090
    2    HA   ALA  77           HA       ALA  77   0.204  -0.332 -12.090
    3    HB3  ALA  77           HB1      ALA  77  -2.335  -1.837 -12.634
    4    HB1  ALA  77           HB2      ALA  77  -1.386  -0.821 -13.718
    5    HB2  ALA  77           HB3      ALA  77  -2.387  -0.081 -12.470

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLN  78           H        GLN  78  -1.823  -2.328  -9.966
    2    HA   GLN  78           HA       GLN  78  -2.761  -0.207  -8.339
    3    HB2  GLN  78           HB2      GLN  78  -3.660  -2.595  -8.493
    4    HB3  GLN  78           HB3      GLN  78  -2.328  -3.057  -7.433
    5    HG2  GLN  78           HG2      GLN  78  -3.102  -1.401  -5.765
    6    HG3  GLN  78           HG3      GLN  78  -4.461  -0.998  -6.812
    7   HE21  GLN  78          HE21      GLN  78  -4.920  -2.048  -4.200
    8   HE22  GLN  78          HE22      GLN  78  -5.575  -3.607  -4.352

  No H/Q in entry =           8
  In of MODEL   17
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   17
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.316   0.890 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.966   2.520 -10.292
    5    HD1  HIS  80           HD1      HIS  80   5.417   2.779 -10.631
    6    HD2  HIS  80           HD2      HIS  80   4.385  -1.180  -9.833
    7    HE1  HIS  80           HE1      HIS  80   7.552   1.420 -10.855
    8    HE2  HIS  80           HE2      HIS  80   6.933  -0.998 -10.372

  No H/Q in entry =           8
  In of MODEL   17
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   17
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   17
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   17
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   17
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   17
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   17
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   17
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   17
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   17
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   17
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   17
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   17
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   17
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   17
    1    H    PHE   9           H        PHE   9 -21.283   0.634  -3.911
    2    HA   PHE   9           HA       PHE   9 -18.522   1.524  -4.537
    3    HB2  PHE   9           HB2      PHE   9 -20.350   2.450  -2.314
    4    HB3  PHE   9           HB3      PHE   9 -18.639   2.858  -2.434
    5    HD1  PHE   9           HD1      PHE   9 -21.983   3.487  -3.727
    6    HD2  PHE   9           HD2      PHE   9 -17.798   4.200  -4.364
    7    HE1  PHE   9           HE1      PHE   9 -22.537   5.334  -5.285
    8    HE2  PHE   9           HE2      PHE   9 -18.351   6.047  -5.926
    9    HZ   PHE   9           HZ       PHE   9 -20.721   6.614  -6.386

  No H/Q in entry =           9
  In of MODEL   17
    1    H    CYS  10           H        CYS  10 -16.924   0.917  -3.215
    2    HA   CYS  10           HA       CYS  10 -17.192  -0.737  -0.874
    3    HB2  CYS  10           HB2      CYS  10 -16.128  -2.704  -1.643
    4    HB3  CYS  10           HB3      CYS  10 -17.281  -2.320  -2.925

  No H/Q in entry =           4
  In of MODEL   17
    1    H    SER  11           H        SER  11 -14.464  -1.437  -0.366
    2    HA   SER  11           HA       SER  11 -13.465   1.168   0.005
    3    HB2  SER  11           HB2      SER  11 -11.200  -0.194   0.272
    4    HB3  SER  11           HB3      SER  11 -12.457  -0.281   1.487
    5    HG   SER  11           HG       SER  11 -13.263  -2.114   0.174

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA  12           H        ALA  12 -12.209  -1.352  -2.333
    2    HA   ALA  12           HA       ALA  12 -10.813   0.877  -3.654
    3    HB1  ALA  12           HB1      ALA  12 -10.103  -1.850  -3.013
    4    HB3  ALA  12           HB2      ALA  12  -9.073  -0.540  -3.589
    5    HB2  ALA  12           HB3      ALA  12  -9.933  -1.558  -4.743

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLY  13           H        GLY  13 -12.999  -1.830  -4.227
    2    HA3  GLY  13           HA2      GLY  13 -14.797  -1.500  -5.837
    3    HA2  GLY  13           HA3      GLY  13 -13.631  -0.680  -6.869

  No H/Q in entry =           3
  In of MODEL   17
    1    H    MET  14           H        MET  14 -12.748  -3.664  -5.186
    2    HA   MET  14           HA       MET  14 -12.605  -4.933  -7.846
    3    HB2  MET  14           HB2      MET  14 -10.484  -4.665  -6.548
    4    HB3  MET  14           HB3      MET  14 -11.146  -5.762  -5.335
    5    HG2  MET  14           HG2      MET  14 -11.388  -7.522  -7.029
    6    HG3  MET  14           HG3      MET  14 -10.784  -6.429  -8.273
    7    HE3  MET  14           HE1      MET  14  -8.229  -9.247  -7.636
    8    HE2  MET  14           HE2      MET  14  -8.307  -8.034  -8.910
    9    HE1  MET  14           HE3      MET  14  -9.785  -8.811  -8.352

  No H/Q in entry =           9
  In of MODEL   17
    1    H    SER  15           H        SER  15 -12.862  -6.270  -4.558
    2    HA   SER  15           HA       SER  15 -14.074  -8.635  -5.200
    3    HB2  SER  15           HB2      SER  15 -13.422  -7.693  -2.877
    4    HB3  SER  15           HB3      SER  15 -15.086  -7.109  -2.827
    5    HG   SER  15           HG       SER  15 -14.141  -9.594  -2.457

  No H/Q in entry =           5
  In of MODEL   17
    1    H    THR  16           H        THR  16 -15.517  -5.470  -5.463
    2    HA   THR  16           HA       THR  16 -18.199  -6.686  -5.635
    3    HB   THR  16           HB       THR  16 -17.450  -3.768  -5.943
    4    HG1  THR  16           HG1      THR  16 -18.666  -4.514  -3.633
    5   HG21  THR  16          HG21      THR  16 -20.013  -5.315  -5.625
    6   HG23  THR  16          HG22      THR  16 -19.616  -4.059  -6.798
    7   HG22  THR  16          HG23      THR  16 -19.914  -3.629  -5.114

  No H/Q in entry =           7
  In of MODEL   17
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   17
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   17
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   17
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   17
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   17
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   17
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   17
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   17
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   17
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   17
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   17
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   17
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   17
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   17
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   17
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   17
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   17
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   17
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   17
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   17
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   17
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.796
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.615  -0.007
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.740  -0.009

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   17
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   17
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   17
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   17
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   17
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   17
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   17
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   17
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   17
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   17
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   17
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   17
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   17
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   17
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   17
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   17
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   17
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   17
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   17
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   17
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   17
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   17
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   17
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   17
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   17
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   17
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   17
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   17
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   17
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   17
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   18
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.286 -14.280  -2.731
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.931  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.574 -11.558  -2.347
    6    HG3  GLU   5           HG3      GLU   5 -13.140 -11.874  -3.324

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   18
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   18
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   18
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.706  -8.434   1.539
    4    HB3  MET   9           HB3      MET   9 -15.031  -6.711   1.348
    5    HG2  MET   9           HG2      MET   9 -14.270  -6.783  -0.967
    6    HG3  MET   9           HG3      MET   9 -13.814  -8.478  -0.793
    7    HE2  MET   9           HE1      MET   9 -17.775  -6.438  -1.192
    8    HE1  MET   9           HE2      MET   9 -16.276  -5.854  -0.479
    9    HE3  MET   9           HE3      MET   9 -17.435  -6.720   0.518

  No H/Q in entry =           9
  In of MODEL   18
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   18
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.933  -4.424   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.153  -6.138   0.941
    5   HG13  ILE  12          HG13      ILE  12  -9.673  -5.403  -0.563
    6   HG23  ILE  12          HG21      ILE  12 -10.556  -2.138   0.793
    7   HG22  ILE  12          HG22      ILE  12 -10.048  -3.013  -0.653
    8   HG21  ILE  12          HG23      ILE  12  -8.845  -2.418   0.499
    9   HD11  ILE  12          HD11      ILE  12  -7.658  -3.864  -0.340
   10   HD13  ILE  12          HD12      ILE  12  -7.289  -5.555  -0.625
   11   HD12  ILE  12          HD13      ILE  12  -7.149  -4.885   0.994

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.235
    4   HG12  ILE  13          HG12      ILE  13 -13.489  -3.050   2.662
    5   HG13  ILE  13          HG13      ILE  13 -14.908  -3.540   3.571
    6   HG23  ILE  13          HG21      ILE  13 -13.717  -1.828   6.732
    7   HG22  ILE  13          HG22      ILE  13 -15.156  -1.890   5.713
    8   HG21  ILE  13          HG23      ILE  13 -13.923  -0.662   5.425
    9   HD13  ILE  13          HD11      ILE  13 -15.778  -1.360   3.638
   10   HD12  ILE  13          HD12      ILE  13 -15.051  -1.425   2.038
   11   HD11  ILE  13          HD13      ILE  13 -14.201  -0.625   3.358

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   18
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   18
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   18
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   18
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   18
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   18
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   18
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   18
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   18
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   18
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   18
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   18
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   18
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   18
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   18
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   18
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.980  -6.655  10.611
    4    HB3  HIS  52           HB3      HIS  52  -1.080  -7.800  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.202 -10.179  11.467
    6    HD2  HIS  52           HD2      HIS  52   1.325  -6.937   9.100
    7    HE1  HIS  52           HE1      HIS  52   2.437 -10.783  10.441
    8    HE2  HIS  52           HE2      HIS  52   3.137  -8.815   8.996

  No H/Q in entry =           8
  In of MODEL   18
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   18
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   18
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   18
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.216  10.983
    4    HG1  THR  56           HG1      THR  56   0.050 -12.125   9.727
    5   HG21  THR  56          HG21      THR  56   0.955 -15.684   9.972
    6   HG23  THR  56          HG22      THR  56   0.871 -15.198  11.664
    7   HG22  THR  56          HG23      THR  56   1.843 -14.267  10.528

  No H/Q in entry =           7
  In of MODEL   18
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   18
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.635   4.917
    4   HG12  ILE  59          HG12      ILE  59   2.392 -16.239   3.443
    5   HG13  ILE  59          HG13      ILE  59   1.131 -15.342   2.611
    6   HG23  ILE  59          HG21      ILE  59   2.370 -15.074   6.107
    7   HG22  ILE  59          HG22      ILE  59   2.305 -16.764   5.685
    8   HG21  ILE  59          HG23      ILE  59   1.123 -16.096   6.798
    9   HD11  ILE  59          HD11      ILE  59   1.873 -13.305   3.969
   10   HD13  ILE  59          HD12      ILE  59   2.982 -13.853   2.713
   11   HD12  ILE  59          HD13      ILE  59   3.298 -14.249   4.402

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   18
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   18
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   18
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   18
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   18
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   18
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   18
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   18
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LEU  74           H        LEU  74  -4.186 -13.627  -2.394
    2    HA   LEU  74           HA       LEU  74  -3.789 -12.458   0.113
    3    HB2  LEU  74           HB2      LEU  74  -2.859 -14.612  -0.575
    4    HB3  LEU  74           HB3      LEU  74  -1.838 -13.811  -1.764
    5    HG   LEU  74           HG       LEU  74  -0.684 -12.607   0.064
    6   HD11  LEU  74          HD11      LEU  74  -2.690 -14.137   1.709
    7   HD13  LEU  74          HD12      LEU  74  -2.260 -12.431   1.805
    8   HD12  LEU  74          HD13      LEU  74  -1.145 -13.657   2.411
    9   HD22  LEU  74          HD21      LEU  74   0.717 -14.420   0.569
   10   HD21  LEU  74          HD22      LEU  74  -0.168 -15.061  -0.804
   11   HD23  LEU  74          HD23      LEU  74  -0.641 -15.513   0.829

  No H/Q in entry =          11
  In of MODEL   18
    1    H    VAL  75           H        VAL  75  -2.650 -11.568  -3.036
    2    HA   VAL  75           HA       VAL  75  -0.694  -9.657  -2.230
    3    HB   VAL  75           HB       VAL  75  -2.224 -10.063  -4.812
    4   HG12  VAL  75          HG11      VAL  75  -0.544  -8.483  -5.799
    5   HG11  VAL  75          HG12      VAL  75  -0.024  -8.080  -4.164
    6   HG13  VAL  75          HG13      VAL  75  -1.666  -7.707  -4.683
    7   HG22  VAL  75          HG21      VAL  75  -0.029 -10.886  -5.616
    8   HG21  VAL  75          HG22      VAL  75  -0.564 -11.806  -4.210
    9   HG23  VAL  75          HG23      VAL  75   0.671 -10.562  -4.030

  No H/Q in entry =           9
  In of MODEL   18
    1    H    HIS  76           H        HIS  76  -4.389  -9.269  -3.343
    2    HA   HIS  76           HA       HIS  76  -4.708  -6.495  -3.163
    3    HB2  HIS  76           HB2      HIS  76  -6.453  -8.091  -4.033
    4    HB3  HIS  76           HB3      HIS  76  -6.809  -8.539  -2.370
    5    HD1  HIS  76           HD1      HIS  76  -6.022  -4.935  -2.852
    6    HD2  HIS  76           HD2      HIS  76  -9.469  -7.308  -2.863
    7    HE1  HIS  76           HE1      HIS  76  -8.002  -3.342  -2.703

  No H/Q in entry =           7
  In of MODEL   18
    1    H    ALA  77           H        ALA  77  -4.727  -8.956  -0.645
    2    HA   ALA  77           HA       ALA  77  -5.515  -7.097   1.431
    3    HB3  ALA  77           HB1      ALA  77  -4.673  -9.981   1.372
    4    HB2  ALA  77           HB2      ALA  77  -6.200  -9.278   1.904
    5    HB1  ALA  77           HB3      ALA  77  -4.759  -9.113   2.906

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLN  78           H        GLN  78  -2.476  -8.789   0.524
    2    HA   GLN  78           HA       GLN  78  -0.920  -7.727   2.611
    3    HB2  GLN  78           HB2      GLN  78  -0.369  -9.650   1.000
    4    HB3  GLN  78           HB3      GLN  78   0.150  -8.400  -0.130
    5    HG2  GLN  78           HG2      GLN  78   1.725  -7.536   1.562
    6    HG3  GLN  78           HG3      GLN  78   1.224  -8.806   2.676
    7   HE21  GLN  78          HE21      GLN  78   1.948  -8.935  -0.860
    8   HE22  GLN  78          HE22      GLN  78   3.132 -10.144  -0.714

  No H/Q in entry =           8
  In of MODEL   18
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   18
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.201   1.169
    4    HB3  HIS  80           HB3      HIS  80  -5.388  -2.809   2.204
    5    HD1  HIS  80           HD1      HIS  80  -6.976  -1.199   1.202
    6    HD2  HIS  80           HD2      HIS  80  -4.784  -3.191  -1.732
    7    HE1  HIS  80           HE1      HIS  80  -7.793  -0.310  -1.032
    8    HE2  HIS  80           HE2      HIS  80  -6.463  -1.520  -2.830

  No H/Q in entry =           8
  In of MODEL   18
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   18
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   18
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   18
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   18
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   18
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   18
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   18
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   18
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   18
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.420 -20.430  -4.407
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.479
    5    HG2  GLU   5           HG2      GLU   5  10.906 -19.843  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.487 -19.336  -2.385

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   18
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   18
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   18
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.032 -16.709   0.854
    4    HB3  MET   9           HB3      MET   9  13.735 -16.162   2.504
    5    HG2  MET   9           HG2      MET   9  11.341 -16.583   2.251
    6    HG3  MET   9           HG3      MET   9  11.578 -17.042   0.564
    7    HE2  MET   9           HE1      MET   9  12.499 -19.142   4.417
    8    HE1  MET   9           HE2      MET   9  12.448 -17.417   4.061
    9    HE3  MET   9           HE3      MET   9  13.946 -18.315   3.830

  No H/Q in entry =           9
  In of MODEL   18
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   18
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.956   2.296
    4   HG12  ILE  12          HG12      ILE  12  10.825 -11.525  -0.018
    5   HG13  ILE  12          HG13      ILE  12   9.633 -12.251   1.042
    6   HG23  ILE  12          HG21      ILE  12  10.854 -10.760   4.169
    7   HG22  ILE  12          HG22      ILE  12   9.428 -11.392   3.348
    8   HG21  ILE  12          HG23      ILE  12   9.879  -9.699   3.155
    9   HD11  ILE  12          HD11      ILE  12   8.785  -9.871   1.437
   10   HD13  ILE  12          HD12      ILE  12   8.512 -10.539  -0.162
   11   HD12  ILE  12          HD13      ILE  12   9.826  -9.401   0.102

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.802 -12.607   4.679
    5   HG13  ILE  13          HG13      ILE  13  15.279 -13.528   4.937
    6   HG23  ILE  13          HG21      ILE  13  17.378 -10.425   5.425
    7   HG22  ILE  13          HG22      ILE  13  17.060 -11.965   6.223
    8   HG21  ILE  13          HG23      ILE  13  16.120 -10.537   6.655
    9   HD13  ILE  13          HD11      ILE  13  15.360 -12.990   7.229
   10   HD12  ILE  13          HD12      ILE  13  13.636 -13.214   6.939
   11   HD11  ILE  13          HD13      ILE  13  14.310 -11.588   7.028

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   18
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   18
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   18
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   18
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   18
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   18
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   18
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   18
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   18
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   18
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   18
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   18
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   18
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   18
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   18
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   18
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.369  -1.676  -5.660
    4    HB3  HIS  52           HB3      HIS  52  17.779  -1.775  -6.715
    5    HD1  HIS  52           HD1      HIS  52  17.162  -2.227  -9.350
    6    HD2  HIS  52           HD2      HIS  52  14.108  -0.723  -6.943
    7    HE1  HIS  52           HE1      HIS  52  15.413  -1.283 -10.919
    8    HE2  HIS  52           HE2      HIS  52  13.545  -0.361  -9.467

  No H/Q in entry =           8
  In of MODEL   18
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   18
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   18
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   18
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.060
    4    HG1  THR  56           HG1      THR  56  15.930  -4.057 -10.751
    5   HG21  THR  56          HG21      THR  56  16.287  -5.086 -14.269
    6   HG23  THR  56          HG22      THR  56  17.778  -4.189 -13.982
    7   HG22  THR  56          HG23      THR  56  16.223  -3.463 -13.584

  No H/Q in entry =           7
  In of MODEL   18
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   18
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.842  -7.160 -12.528
    4   HG12  ILE  59          HG12      ILE  59   9.888  -7.018 -14.830
    5   HG13  ILE  59          HG13      ILE  59   9.525  -7.862 -13.332
    6   HG23  ILE  59          HG21      ILE  59  12.142  -5.323 -14.085
    7   HG22  ILE  59          HG22      ILE  59  12.020  -6.402 -15.451
    8   HG21  ILE  59          HG23      ILE  59  13.414  -6.494 -14.386
    9   HD11  ILE  59          HD11      ILE  59  10.158  -5.697 -12.123
   10   HD13  ILE  59          HD12      ILE  59   8.648  -5.672 -13.033
   11   HD12  ILE  59          HD13      ILE  59  10.096  -4.924 -13.707

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   18
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   18
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   18
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   18
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   18
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   18
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   18
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   18
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LEU  74           H        LEU  74   6.926 -13.092  -8.615
    2    HA   LEU  74           HA       LEU  74   8.863 -11.145  -8.085
    3    HB2  LEU  74           HB2      LEU  74   8.182 -11.835 -10.329
    4    HB3  LEU  74           HB3      LEU  74   6.574 -11.169 -10.067
    5    HG   LEU  74           HG       LEU  74   7.567  -8.914  -9.825
    6   HD11  LEU  74          HD11      LEU  74  10.097 -10.494 -10.245
    7   HD13  LEU  74          HD12      LEU  74   9.755  -9.266  -9.028
    8   HD12  LEU  74          HD13      LEU  74  10.021  -8.795 -10.707
    9   HD22  LEU  74          HD21      LEU  74   7.718  -8.574 -12.144
   10   HD21  LEU  74          HD22      LEU  74   6.930 -10.140 -12.087
   11   HD23  LEU  74          HD23      LEU  74   8.661 -10.042 -12.388

  No H/Q in entry =          11
  In of MODEL   18
    1    H    VAL  75           H        VAL  75   5.405 -11.106  -7.729
    2    HA   VAL  75           HA       VAL  75   5.071  -8.342  -7.164
    3    HB   VAL  75           HB       VAL  75   3.421 -10.786  -6.483
    4   HG12  VAL  75          HG11      VAL  75   1.629  -9.164  -5.848
    5   HG11  VAL  75          HG12      VAL  75   2.813  -7.861  -5.952
    6   HG13  VAL  75          HG13      VAL  75   3.005  -9.131  -4.746
    7   HG22  VAL  75          HG21      VAL  75   1.910  -9.840  -8.209
    8   HG21  VAL  75          HG22      VAL  75   3.519 -10.121  -8.870
    9   HG23  VAL  75          HG23      VAL  75   3.020  -8.489  -8.434

  No H/Q in entry =           9
  In of MODEL   18
    1    H    HIS  76           H        HIS  76   5.562 -11.249  -4.972
    2    HA   HIS  76           HA       HIS  76   5.356  -9.935  -2.507
    3    HB2  HIS  76           HB2      HIS  76   5.677 -12.479  -3.078
    4    HB3  HIS  76           HB3      HIS  76   7.391 -12.102  -2.891
    5    HD1  HIS  76           HD1      HIS  76   5.887  -9.784  -0.739
    6    HD2  HIS  76           HD2      HIS  76   6.484 -13.902  -0.465
    7    HE1  HIS  76           HE1      HIS  76   5.731 -10.369   1.720

  No H/Q in entry =           7
  In of MODEL   18
    1    H    ALA  77           H        ALA  77   8.201 -10.463  -4.578
    2    HA   ALA  77           HA       ALA  77  10.023  -9.135  -2.836
    3    HB2  ALA  77           HB1      ALA  77  10.091 -10.004  -5.708
    4    HB1  ALA  77           HB2      ALA  77  11.076 -10.554  -4.354
    5    HB3  ALA  77           HB3      ALA  77  11.376  -8.974  -5.075

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLN  78           H        GLN  78   8.155  -8.076  -5.672
    2    HA   GLN  78           HA       GLN  78   9.272  -5.478  -5.817
    3    HB2  GLN  78           HB2      GLN  78   7.854  -6.749  -7.559
    4    HB3  GLN  78           HB3      GLN  78   6.458  -6.176  -6.647
    5    HG2  GLN  78           HG2      GLN  78   7.228  -3.852  -6.930
    6    HG3  GLN  78           HG3      GLN  78   8.613  -4.424  -7.858
    7   HE21  GLN  78          HE21      GLN  78   5.153  -5.438  -7.973
    8   HE22  GLN  78          HE22      GLN  78   4.966  -5.108  -9.627

  No H/Q in entry =           8
  In of MODEL   18
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   18
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.160  -7.455  -0.515
    4    HB3  HIS  80           HB3      HIS  80  10.042  -6.565   0.728
    5    HD1  HIS  80           HD1      HIS  80   9.568  -7.358   3.020
    6    HD2  HIS  80           HD2      HIS  80   6.293  -7.946   0.508
    7    HE1  HIS  80           HE1      HIS  80   7.764  -8.453   4.434
    8    HE2  HIS  80           HE2      HIS  80   5.762  -8.816   2.912

  No H/Q in entry =           8
  In of MODEL   18
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   18
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   18
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   18
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   18
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   18
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   18
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   18
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   18
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   18
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.106  -6.382 -21.730
    4    HB3  GLU   5           HB3      GLU   5   0.418  -5.150 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.481  -4.492 -21.793
    6    HG3  GLU   5           HG3      GLU   5   2.167  -5.682 -20.533

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   18
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   18
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   18
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.884   0.432 -21.000
    4    HB3  MET   9           HB3      MET   9   4.424   1.171 -20.553
    5    HG2  MET   9           HG2      MET   9   5.212  -0.957 -19.636
    6    HG3  MET   9           HG3      MET   9   3.655  -1.707 -19.985
    7    HE2  MET   9           HE1      MET   9   7.054  -0.453 -22.633
    8    HE1  MET   9           HE2      MET   9   6.508   0.228 -21.103
    9    HE3  MET   9           HE3      MET   9   5.806   0.799 -22.614

  No H/Q in entry =           9
  In of MODEL   18
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   18
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.461   1.677 -15.890
    4   HG12  ILE  12          HG12      ILE  12   2.669   0.273 -14.843
    5   HG13  ILE  12          HG13      ILE  12   4.216  -0.543 -14.940
    6   HG23  ILE  12          HG21      ILE  12   6.323   2.442 -14.641
    7   HG22  ILE  12          HG22      ILE  12   6.248   0.705 -14.344
    8   HG21  ILE  12          HG23      ILE  12   5.658   1.834 -13.126
    9   HD11  ILE  12          HD11      ILE  12   4.572   0.187 -12.524
   10   HD13  ILE  12          HD12      ILE  12   3.320  -1.014 -12.787
   11   HD12  ILE  12          HD13      ILE  12   2.884   0.670 -12.531

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.812 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.846   3.935 -17.776
    5   HG13  ILE  13          HG13      ILE  13   5.609   4.689 -19.350
    6   HG23  ILE  13          HG21      ILE  13   4.752   8.047 -17.858
    7   HG22  ILE  13          HG22      ILE  13   5.829   7.356 -19.072
    8   HG21  ILE  13          HG23      ILE  13   6.389   7.565 -17.413
    9   HD13  ILE  13          HD11      ILE  13   7.570   5.976 -19.167
   10   HD12  ILE  13          HD12      ILE  13   8.038   4.447 -18.426
   11   HD11  ILE  13          HD13      ILE  13   7.614   5.824 -17.412

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   18
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   18
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   18
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   18
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   18
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   18
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   18
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   18
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   18
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   18
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   18
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   18
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   18
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   18
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   18
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   18
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.090  -8.783
    4    HB3  HIS  52           HB3      HIS  52  -7.584   7.661  -9.491
    5    HD1  HIS  52           HD1      HIS  52  -9.641   5.852  -9.299
    6    HD2  HIS  52           HD2      HIS  52  -6.453   5.354  -6.661
    7    HE1  HIS  52           HE1      HIS  52 -10.480   4.358  -7.441
    8    HE2  HIS  52           HE2      HIS  52  -8.551   4.049  -5.816

  No H/Q in entry =           8
  In of MODEL   18
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   18
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   18
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   18
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.897   3.590 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.144   3.422 -10.077
    5   HG21  THR  56          HG21      THR  56 -13.313   1.676 -10.755
    6   HG23  THR  56          HG22      THR  56 -13.815   3.363 -10.863
    7   HG22  THR  56          HG23      THR  56 -12.945   2.793  -9.441

  No H/Q in entry =           7
  In of MODEL   18
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   18
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.670  -1.965 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.918  -4.322  -8.995
    5   HG13  ILE  59          HG13      ILE  59  -9.336  -4.426  -9.749
    6   HG22  ILE  59          HG21      ILE  59 -11.513  -1.683  -8.732
    7   HG21  ILE  59          HG22      ILE  59 -12.533  -2.682  -9.734
    8   HG23  ILE  59          HG23      ILE  59 -11.969  -1.131 -10.333
    9   HD11  ILE  59          HD11      ILE  59  -8.802  -2.261  -8.406
   10   HD13  ILE  59          HD12      ILE  59  -8.808  -3.804  -7.554
   11   HD12  ILE  59          HD13      ILE  59 -10.196  -2.724  -7.429

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   18
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   18
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   18
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   18
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   18
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   18
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   18
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   18
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LEU  74           H        LEU  74  -3.292  -7.032 -13.325
    2    HA   LEU  74           HA       LEU  74  -3.875  -4.381 -12.686
    3    HB2  LEU  74           HB2      LEU  74  -5.509  -6.213 -12.694
    4    HB3  LEU  74           HB3      LEU  74  -4.705  -6.958 -11.318
    5    HG   LEU  74           HG       LEU  74  -5.238  -4.977  -9.944
    6   HD11  LEU  74          HD11      LEU  74  -6.392  -4.038 -12.563
    7   HD13  LEU  74          HD12      LEU  74  -5.341  -3.169 -11.447
    8   HD12  LEU  74          HD13      LEU  74  -7.036  -3.433 -11.039
    9   HD22  LEU  74          HD21      LEU  74  -7.451  -5.654  -9.531
   10   HD21  LEU  74          HD22      LEU  74  -6.848  -7.022 -10.451
   11   HD23  LEU  74          HD23      LEU  74  -7.824  -5.794 -11.248

  No H/Q in entry =          11
  In of MODEL   18
    1    H    VAL  75           H        VAL  75  -2.142  -6.824 -10.917
    2    HA   VAL  75           HA       VAL  75  -1.873  -5.441  -8.451
    3    HB   VAL  75           HB       VAL  75  -0.243  -7.640  -9.732
    4   HG12  VAL  75          HG11      VAL  75   0.822  -7.886  -7.485
    5   HG11  VAL  75          HG12      VAL  75   0.050  -6.382  -6.986
    6   HG13  VAL  75          HG13      VAL  75   1.249  -6.371  -8.279
    7   HG22  VAL  75          HG21      VAL  75  -1.331  -9.015  -7.977
    8   HG21  VAL  75          HG22      VAL  75  -2.541  -8.220  -8.986
    9   HG23  VAL  75          HG23      VAL  75  -2.172  -7.583  -7.384

  No H/Q in entry =           9
  In of MODEL   18
    1    H    HIS  76           H        HIS  76   0.294  -5.618 -11.404
    2    HA   HIS  76           HA       HIS  76   2.420  -4.080 -10.419
    3    HB2  HIS  76           HB2      HIS  76   2.314  -5.365 -12.622
    4    HB3  HIS  76           HB3      HIS  76   1.460  -3.967 -13.277
    5    HD1  HIS  76           HD1      HIS  76   4.076  -3.360 -10.700
    6    HD2  HIS  76           HD2      HIS  76   3.788  -3.302 -14.858
    7    HE1  HIS  76           HE1      HIS  76   6.153  -2.184 -11.545

  No H/Q in entry =           7
  In of MODEL   18
    1    H    ALA  77           H        ALA  77  -0.539  -3.070 -12.121
    2    HA   ALA  77           HA       ALA  77   0.113  -0.295 -12.110
    3    HB1  ALA  77           HB1      ALA  77  -2.388  -1.889 -12.591
    4    HB3  ALA  77           HB2      ALA  77  -1.489  -0.863 -13.708
    5    HB2  ALA  77           HB3      ALA  77  -2.483  -0.133 -12.449

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLN  78           H        GLN  78  -1.828  -2.354  -9.957
    2    HA   GLN  78           HA       GLN  78  -2.787  -0.253  -8.316
    3    HB2  GLN  78           HB2      GLN  78  -3.604  -2.693  -8.487
    4    HB3  GLN  78           HB3      GLN  78  -2.296  -3.074  -7.368
    5    HG2  GLN  78           HG2      GLN  78  -3.191  -1.420  -5.770
    6    HG3  GLN  78           HG3      GLN  78  -4.514  -1.070  -6.880
    7   HE21  GLN  78          HE21      GLN  78  -3.054  -4.226  -5.922
    8   HE22  GLN  78          HE22      GLN  78  -4.514  -4.894  -5.371

  No H/Q in entry =           8
  In of MODEL   18
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   18
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.318   0.888 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.963   2.519 -10.293
    5    HD1  HIS  80           HD1      HIS  80   5.336   2.712 -10.952
    6    HD2  HIS  80           HD2      HIS  80   4.471  -1.103  -9.512
    7    HE1  HIS  80           HE1      HIS  80   7.495   1.382 -11.095
    8    HE2  HIS  80           HE2      HIS  80   6.979  -0.948 -10.220

  No H/Q in entry =           8
  In of MODEL   18
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   18
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   18
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   18
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   18
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   18
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   18
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   18
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   18
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   18
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   18
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   18
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   18
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   18
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   18
    1    H    PHE   9           H        PHE   9 -21.266   0.651  -3.899
    2    HA   PHE   9           HA       PHE   9 -18.520   1.564  -4.558
    3    HB2  PHE   9           HB2      PHE   9 -20.336   2.475  -2.319
    4    HB3  PHE   9           HB3      PHE   9 -18.631   2.901  -2.455
    5    HD1  PHE   9           HD1      PHE   9 -21.994   3.478  -3.735
    6    HD2  PHE   9           HD2      PHE   9 -17.822   4.261  -4.381
    7    HE1  PHE   9           HE1      PHE   9 -22.581   5.315  -5.292
    8    HE2  PHE   9           HE2      PHE   9 -18.409   6.098  -5.942
    9    HZ   PHE   9           HZ       PHE   9 -20.790   6.625  -6.397

  No H/Q in entry =           9
  In of MODEL   18
    1    H    CYS  10           H        CYS  10 -16.891   0.989  -3.228
    2    HA   CYS  10           HA       CYS  10 -17.144  -0.677  -0.891
    3    HB2  CYS  10           HB2      CYS  10 -16.007  -2.611  -1.669
    4    HB3  CYS  10           HB3      CYS  10 -17.198  -2.263  -2.927

  No H/Q in entry =           4
  In of MODEL   18
    1    H    SER  11           H        SER  11 -14.320  -1.373  -0.482
    2    HA   SER  11           HA       SER  11 -13.465   1.347  -0.144
    3    HB2  SER  11           HB2      SER  11 -12.454  -1.314   0.666
    4    HB3  SER  11           HB3      SER  11 -11.245  -0.058   0.497
    5    HG   SER  11           HG       SER  11 -12.493   1.235   1.896

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA  12           H        ALA  12 -12.738  -1.088  -2.672
    2    HA   ALA  12           HA       ALA  12 -10.872   0.922  -3.748
    3    HB2  ALA  12           HB1      ALA  12 -10.001  -1.604  -4.659
    4    HB1  ALA  12           HB2      ALA  12 -10.212  -1.755  -2.916
    5    HB3  ALA  12           HB3      ALA  12  -9.153  -0.507  -3.570

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLY  13           H        GLY  13 -13.013  -1.805  -4.309
    2    HA3  GLY  13           HA2      GLY  13 -14.765  -1.528  -5.971
    3    HA2  GLY  13           HA3      GLY  13 -13.574  -0.746  -7.004

  No H/Q in entry =           3
  In of MODEL   18
    1    H    MET  14           H        MET  14 -12.684  -3.697  -5.235
    2    HA   MET  14           HA       MET  14 -12.562  -5.015  -7.871
    3    HB2  MET  14           HB2      MET  14 -10.456  -4.742  -6.497
    4    HB3  MET  14           HB3      MET  14 -11.149  -5.897  -5.357
    5    HG2  MET  14           HG2      MET  14 -11.540  -7.319  -7.569
    6    HG3  MET  14           HG3      MET  14 -10.205  -6.335  -8.165
    7    HE2  MET  14           HE1      MET  14  -7.186  -7.208  -6.235
    8    HE1  MET  14           HE2      MET  14  -8.136  -5.871  -6.876
    9    HE3  MET  14           HE3      MET  14  -7.752  -7.244  -7.909

  No H/Q in entry =           9
  In of MODEL   18
    1    H    SER  15           H        SER  15 -12.843  -6.301  -4.576
    2    HA   SER  15           HA       SER  15 -14.089  -8.656  -5.173
    3    HB2  SER  15           HB2      SER  15 -15.101  -7.094  -2.828
    4    HB3  SER  15           HB3      SER  15 -14.747  -8.817  -2.956
    5    HG   SER  15           HG       SER  15 -12.499  -8.032  -3.360

  No H/Q in entry =           5
  In of MODEL   18
    1    H    THR  16           H        THR  16 -15.517  -5.467  -5.463
    2    HA   THR  16           HA       THR  16 -18.198  -6.687  -5.634
    3    HB   THR  16           HB       THR  16 -17.453  -3.768  -5.939
    4    HG1  THR  16           HG1      THR  16 -17.053  -5.065  -3.845
    5   HG22  THR  16          HG21      THR  16 -19.920  -3.650  -5.088
    6   HG21  THR  16          HG22      THR  16 -20.009  -5.324  -5.641
    7   HG23  THR  16          HG23      THR  16 -19.619  -4.037  -6.783

  No H/Q in entry =           7
  In of MODEL   18
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   18
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   18
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   18
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   18
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   18
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   18
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   18
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   18
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   18
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   18
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   18
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   18
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   18
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   18
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   18
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   18
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   18
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   18
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   18
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   18
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   18
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   18
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   18
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   18
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   18
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   18
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   18
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   18
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   18
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   18
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   18
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   18
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   18
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   18
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   18
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   18
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   18
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   18
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   18
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   18
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   18
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   18
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   18
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   18
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   18
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   18
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   18
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   18
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   18
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   18
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   18
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   19
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.306 -14.314  -2.704
    4    HB3  GLU   5           HB3      GLU   5 -14.711 -13.887  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.797 -12.525  -3.708
    6    HG3  GLU   5           HG3      GLU   5 -14.315 -11.474  -2.376

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   19
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   19
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   19
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.713  -8.421   1.557
    4    HB3  MET   9           HB3      MET   9 -15.027  -6.701   1.327
    5    HG2  MET   9           HG2      MET   9 -14.270  -6.825  -0.982
    6    HG3  MET   9           HG3      MET   9 -13.801  -8.511  -0.771
    7    HE1  MET   9           HE1      MET   9 -16.308  -5.881  -0.677
    8    HE3  MET   9           HE2      MET   9 -17.324  -6.689   0.512
    9    HE2  MET   9           HE3      MET   9 -17.857  -6.577  -1.159

  No H/Q in entry =           9
  In of MODEL   19
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   19
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.959  -4.308   1.270
    4   HG12  ILE  12          HG12      ILE  12  -9.554  -6.243   0.930
    5   HG13  ILE  12          HG13      ILE  12  -9.629  -5.364  -0.585
    6   HG22  ILE  12          HG21      ILE  12  -8.629  -2.690   0.233
    7   HG21  ILE  12          HG22      ILE  12 -10.165  -2.041   0.812
    8   HG23  ILE  12          HG23      ILE  12 -10.112  -3.045  -0.642
    9   HD12  ILE  12          HD11      ILE  12  -7.347  -5.506   1.387
   10   HD11  ILE  12          HD12      ILE  12  -7.436  -4.269   0.145
   11   HD13  ILE  12          HD13      ILE  12  -7.369  -5.967  -0.307

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.608   5.229
    4   HG12  ILE  13          HG12      ILE  13 -13.497  -3.051   2.662
    5   HG13  ILE  13          HG13      ILE  13 -14.922  -3.520   3.574
    6   HG23  ILE  13          HG21      ILE  13 -13.776  -1.901   6.749
    7   HG22  ILE  13          HG22      ILE  13 -15.159  -1.832   5.657
    8   HG21  ILE  13          HG23      ILE  13 -13.846  -0.665   5.492
    9   HD12  ILE  13          HD11      ILE  13 -14.949  -1.357   2.028
   10   HD11  ILE  13          HD12      ILE  13 -14.222  -0.615   3.448
   11   HD13  ILE  13          HD13      ILE  13 -15.806  -1.376   3.567

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   19
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   19
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   19
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   19
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   19
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   19
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   19
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   19
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   19
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   19
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   19
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   19
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   19
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   19
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   19
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   19
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.938  -6.672  10.556
    4    HB3  HIS  52           HB3      HIS  52  -1.116  -7.740  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.216 -10.063  11.813
    6    HD2  HIS  52           HD2      HIS  52   1.289  -7.219   8.961
    7    HE1  HIS  52           HE1      HIS  52   2.433 -10.819  10.847
    8    HE2  HIS  52           HE2      HIS  52   3.102  -9.093   9.107

  No H/Q in entry =           8
  In of MODEL   19
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   19
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   19
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   19
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.097 -14.214  10.983
    4    HG1  THR  56           HG1      THR  56  -0.453 -12.265  11.306
    5   HG21  THR  56          HG21      THR  56   0.956 -15.683   9.970
    6   HG23  THR  56          HG22      THR  56   0.866 -15.204  11.663
    7   HG22  THR  56          HG23      THR  56   1.843 -14.268  10.534

  No H/Q in entry =           7
  In of MODEL   19
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   19
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.633   4.910
    4   HG12  ILE  59          HG12      ILE  59   2.366 -16.269   3.427
    5   HG13  ILE  59          HG13      ILE  59   1.140 -15.306   2.617
    6   HG21  ILE  59          HG21      ILE  59   1.114 -16.018   6.800
    7   HG23  ILE  59          HG22      ILE  59   2.386 -15.062   6.087
    8   HG22  ILE  59          HG23      ILE  59   2.283 -16.780   5.737
    9   HD12  ILE  59          HD11      ILE  59   3.381 -14.356   4.389
   10   HD11  ILE  59          HD12      ILE  59   1.970 -13.347   4.075
   11   HD13  ILE  59          HD13      ILE  59   3.002 -13.858   2.741

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   19
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   19
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   19
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   19
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   19
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   19
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   19
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   19
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LEU  74           H        LEU  74  -4.202 -13.636  -2.389
    2    HA   LEU  74           HA       LEU  74  -3.795 -12.472   0.116
    3    HB2  LEU  74           HB2      LEU  74  -2.871 -14.624  -0.532
    4    HB3  LEU  74           HB3      LEU  74  -1.884 -13.862  -1.774
    5    HG   LEU  74           HG       LEU  74  -0.662 -12.621  -0.017
    6   HD11  LEU  74          HD11      LEU  74  -2.601 -14.116   1.744
    7   HD13  LEU  74          HD12      LEU  74  -2.209 -12.398   1.758
    8   HD12  LEU  74          HD13      LEU  74  -1.045 -13.573   2.371
    9   HD22  LEU  74          HD21      LEU  74   0.727 -14.446   0.540
   10   HD21  LEU  74          HD22      LEU  74  -0.151 -15.066  -0.847
   11   HD23  LEU  74          HD23      LEU  74  -0.643 -15.527   0.778

  No H/Q in entry =          11
  In of MODEL   19
    1    H    VAL  75           H        VAL  75  -2.680 -11.560  -3.033
    2    HA   VAL  75           HA       VAL  75  -0.708  -9.665  -2.213
    3    HB   VAL  75           HB       VAL  75  -2.235 -10.058  -4.797
    4   HG11  VAL  75          HG11      VAL  75  -0.065  -8.057  -4.118
    5   HG13  VAL  75          HG12      VAL  75  -1.697  -7.705  -4.683
    6   HG12  VAL  75          HG13      VAL  75  -0.536  -8.469  -5.766
    7   HG21  VAL  75          HG21      VAL  75   0.649 -10.579  -3.978
    8   HG23  VAL  75          HG22      VAL  75  -0.001 -10.829  -5.598
    9   HG22  VAL  75          HG23      VAL  75  -0.592 -11.802  -4.253

  No H/Q in entry =           9
  In of MODEL   19
    1    H    HIS  76           H        HIS  76  -4.408  -9.276  -3.301
    2    HA   HIS  76           HA       HIS  76  -4.725  -6.500  -3.107
    3    HB2  HIS  76           HB2      HIS  76  -6.478  -8.045  -3.998
    4    HB3  HIS  76           HB3      HIS  76  -6.807  -8.579  -2.356
    5    HD1  HIS  76           HD1      HIS  76  -6.068  -4.992  -2.379
    6    HD2  HIS  76           HD2      HIS  76  -9.487  -7.311  -3.044
    7    HE1  HIS  76           HE1      HIS  76  -8.060  -3.417  -2.205

  No H/Q in entry =           7
  In of MODEL   19
    1    H    ALA  77           H        ALA  77  -4.680  -8.975  -0.620
    2    HA   ALA  77           HA       ALA  77  -5.494  -7.158   1.487
    3    HB2  ALA  77           HB1      ALA  77  -6.143  -9.340   1.966
    4    HB1  ALA  77           HB2      ALA  77  -4.666  -9.189   2.916
    5    HB3  ALA  77           HB3      ALA  77  -4.634 -10.034   1.369

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLN  78           H        GLN  78  -2.443  -8.794   0.536
    2    HA   GLN  78           HA       GLN  78  -0.883  -7.717   2.620
    3    HB2  GLN  78           HB2      GLN  78  -0.328  -9.643   1.009
    4    HB3  GLN  78           HB3      GLN  78   0.178  -8.390  -0.124
    5    HG2  GLN  78           HG2      GLN  78   1.737  -7.506   1.590
    6    HG3  GLN  78           HG3      GLN  78   1.271  -8.816   2.671
    7   HE21  GLN  78          HE21      GLN  78   1.037 -10.574   0.086
    8   HE22  GLN  78          HE22      GLN  78   2.647 -11.020  -0.213

  No H/Q in entry =           8
  In of MODEL   19
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   19
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.201   1.163
    4    HB3  HIS  80           HB3      HIS  80  -5.386  -2.815   2.207
    5    HD1  HIS  80           HD1      HIS  80  -6.530  -0.820   1.178
    6    HD2  HIS  80           HD2      HIS  80  -5.232  -3.549  -1.694
    7    HE1  HIS  80           HE1      HIS  80  -7.460  -0.020  -1.045
    8    HE2  HIS  80           HE2      HIS  80  -6.675  -1.678  -2.805

  No H/Q in entry =           8
  In of MODEL   19
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   19
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   19
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   19
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   19
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   19
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   19
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   19
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   19
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   19
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.460 -20.452  -4.429
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.875  -3.429
    5    HG2  GLU   5           HG2      GLU   5   9.903 -21.073  -2.035
    6    HG3  GLU   5           HG3      GLU   5  10.754 -19.613  -1.533

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   19
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   19
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   19
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.039 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.727 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.342 -16.599   2.246
    6    HG3  MET   9           HG3      MET   9  11.580 -17.032   0.553
    7    HE1  MET   9           HE1      MET   9  12.303 -17.542   4.094
    8    HE3  MET   9           HE2      MET   9  13.911 -18.200   3.797
    9    HE2  MET   9           HE3      MET   9  12.618 -19.262   4.349

  No H/Q in entry =           9
  In of MODEL   19
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   19
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.944   2.337
    4   HG12  ILE  12          HG12      ILE  12  10.824 -12.005   0.150
    5   HG13  ILE  12          HG13      ILE  12   9.382 -11.955   1.144
    6   HG21  ILE  12          HG21      ILE  12   9.690  -9.767   2.999
    7   HG23  ILE  12          HG22      ILE  12  10.812 -10.536   4.122
    8   HG22  ILE  12          HG23      ILE  12   9.499 -11.470   3.408
    9   HD12  ILE  12          HD11      ILE  12  10.618  -9.745  -0.488
   10   HD11  ILE  12          HD12      ILE  12   9.465  -9.412   0.792
   11   HD13  ILE  12          HD13      ILE  12   8.994 -10.408  -0.578

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.099 -11.638   3.844
    4   HG12  ILE  13          HG12      ILE  13  13.810 -12.619   4.673
    5   HG13  ILE  13          HG13      ILE  13  15.288 -13.527   4.966
    6   HG23  ILE  13          HG21      ILE  13  17.426 -10.498   5.395
    7   HG22  ILE  13          HG22      ILE  13  17.002 -11.963   6.279
    8   HG21  ILE  13          HG23      ILE  13  16.147 -10.456   6.608
    9   HD12  ILE  13          HD11      ILE  13  13.536 -13.064   6.927
   10   HD11  ILE  13          HD12      ILE  13  14.432 -11.551   7.040
   11   HD13  ILE  13          HD13      ILE  13  15.271 -13.089   7.237

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   19
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   19
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   19
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   19
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   19
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   19
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   19
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   19
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   19
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   19
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   19
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   19
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   19
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   19
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   19
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   19
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.305  -1.676  -5.690
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.645
    5    HD1  HIS  52           HD1      HIS  52  17.450  -2.015  -9.295
    6    HD2  HIS  52           HD2      HIS  52  14.039  -0.948  -7.149
    7    HE1  HIS  52           HE1      HIS  52  15.785  -1.137 -10.988
    8    HE2  HIS  52           HE2      HIS  52  13.700  -0.481  -9.696

  No H/Q in entry =           8
  In of MODEL   19
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   19
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   19
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   19
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.060
    4    HG1  THR  56           HG1      THR  56  17.579  -3.841 -10.773
    5   HG21  THR  56          HG21      THR  56  16.284  -5.085 -14.268
    6   HG23  THR  56          HG22      THR  56  17.778  -4.193 -13.984
    7   HG22  THR  56          HG23      THR  56  16.226  -3.461 -13.584

  No H/Q in entry =           7
  In of MODEL   19
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   19
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.836  -7.163 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.889  -7.061 -14.841
    5   HG13  ILE  59          HG13      ILE  59   9.520  -7.834 -13.307
    6   HG21  ILE  59          HG21      ILE  59  13.408  -6.457 -14.310
    7   HG23  ILE  59          HG22      ILE  59  12.111  -5.313 -14.084
    8   HG22  ILE  59          HG23      ILE  59  12.081  -6.406 -15.458
    9   HD12  ILE  59          HD11      ILE  59  10.063  -4.922 -13.841
   10   HD11  ILE  59          HD12      ILE  59  10.222  -5.599 -12.221
   11   HD13  ILE  59          HD13      ILE  59   8.666  -5.649 -13.048

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   19
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   19
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   19
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   19
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   19
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   19
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   19
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   19
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LEU  74           H        LEU  74   6.949 -13.109  -8.613
    2    HA   LEU  74           HA       LEU  74   8.863 -11.142  -8.093
    3    HB2  LEU  74           HB2      LEU  74   8.218 -11.832 -10.334
    4    HB3  LEU  74           HB3      LEU  74   6.584 -11.230 -10.082
    5    HG   LEU  74           HG       LEU  74   7.487  -8.936  -9.842
    6   HD11  LEU  74          HD11      LEU  74  10.083 -10.408 -10.282
    7   HD13  LEU  74          HD12      LEU  74   9.688  -9.233  -9.030
    8   HD12  LEU  74          HD13      LEU  74   9.930  -8.701 -10.693
    9   HD22  LEU  74          HD21      LEU  74   7.681  -8.593 -12.170
   10   HD21  LEU  74          HD22      LEU  74   6.878 -10.151 -12.096
   11   HD23  LEU  74          HD23      LEU  74   8.610 -10.073 -12.397

  No H/Q in entry =          11
  In of MODEL   19
    1    H    VAL  75           H        VAL  75   5.402 -11.123  -7.721
    2    HA   VAL  75           HA       VAL  75   5.059  -8.352  -7.203
    3    HB   VAL  75           HB       VAL  75   3.427 -10.796  -6.488
    4   HG11  VAL  75          HG11      VAL  75   2.836  -7.875  -5.928
    5   HG13  VAL  75          HG12      VAL  75   2.997  -9.168  -4.740
    6   HG12  VAL  75          HG13      VAL  75   1.630  -9.160  -5.853
    7   HG21  VAL  75          HG21      VAL  75   3.042  -8.510  -8.458
    8   HG23  VAL  75          HG22      VAL  75   1.878  -9.805  -8.182
    9   HG22  VAL  75          HG23      VAL  75   3.461 -10.175  -8.861

  No H/Q in entry =           9
  In of MODEL   19
    1    H    HIS  76           H        HIS  76   5.555 -11.215  -4.953
    2    HA   HIS  76           HA       HIS  76   5.368  -9.827  -2.521
    3    HB2  HIS  76           HB2      HIS  76   5.521 -12.351  -2.865
    4    HB3  HIS  76           HB3      HIS  76   7.266 -12.124  -2.999
    5    HD1  HIS  76           HD1      HIS  76   5.024 -10.175  -0.656
    6    HD2  HIS  76           HD2      HIS  76   7.981 -13.107  -0.462
    7    HE1  HIS  76           HE1      HIS  76   5.595 -10.455   1.794

  No H/Q in entry =           7
  In of MODEL   19
    1    H    ALA  77           H        ALA  77   8.188 -10.445  -4.607
    2    HA   ALA  77           HA       ALA  77  10.053  -9.137  -2.898
    3    HB1  ALA  77           HB1      ALA  77  11.081 -10.543  -4.436
    4    HB3  ALA  77           HB2      ALA  77  11.347  -8.965  -5.175
    5    HB2  ALA  77           HB3      ALA  77  10.058 -10.009  -5.770

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLN  78           H        GLN  78   8.142  -8.053  -5.694
    2    HA   GLN  78           HA       GLN  78   9.265  -5.451  -5.826
    3    HB2  GLN  78           HB2      GLN  78   7.847  -6.707  -7.578
    4    HB3  GLN  78           HB3      GLN  78   6.451  -6.150  -6.656
    5    HG2  GLN  78           HG2      GLN  78   7.241  -3.816  -6.905
    6    HG3  GLN  78           HG3      GLN  78   8.591  -4.390  -7.882
    7   HE21  GLN  78          HE21      GLN  78   6.600  -6.544  -8.977
    8   HE22  GLN  78          HE22      GLN  78   5.738  -5.692 -10.166

  No H/Q in entry =           8
  In of MODEL   19
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   19
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.156  -7.457  -0.514
    4    HB3  HIS  80           HB3      HIS  80  10.044  -6.566   0.723
    5    HD1  HIS  80           HD1      HIS  80   9.303  -6.830   3.116
    6    HD2  HIS  80           HD2      HIS  80   6.566  -8.460   0.427
    7    HE1  HIS  80           HE1      HIS  80   7.568  -8.055   4.509
    8    HE2  HIS  80           HE2      HIS  80   5.893  -9.053   2.879

  No H/Q in entry =           8
  In of MODEL   19
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   19
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   19
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   19
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   19
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   19
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   19
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   19
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   19
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   19
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.073  -6.373 -21.768
    4    HB3  GLU   5           HB3      GLU   5   0.462  -5.124 -22.951
    5    HG2  GLU   5           HG2      GLU   5   2.545  -6.108 -22.260
    6    HG3  GLU   5           HG3      GLU   5   2.455  -4.515 -21.515

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   19
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   19
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   19
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.438 -21.000
    4    HB3  MET   9           HB3      MET   9   4.428   1.167 -20.550
    5    HG2  MET   9           HG2      MET   9   5.216  -0.961 -19.653
    6    HG3  MET   9           HG3      MET   9   3.648  -1.705 -19.970
    7    HE1  MET   9           HE1      MET   9   6.622   0.055 -21.137
    8    HE3  MET   9           HE2      MET   9   5.796   0.801 -22.504
    9    HE2  MET   9           HE3      MET   9   6.970  -0.483 -22.786

  No H/Q in entry =           9
  In of MODEL   19
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   19
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.497   1.700 -15.884
    4   HG12  ILE  12          HG12      ILE  12   2.894   0.096 -15.268
    5   HG13  ILE  12          HG13      ILE  12   4.367  -0.536 -14.562
    6   HG21  ILE  12          HG21      ILE  12   5.602   1.591 -13.067
    7   HG23  ILE  12          HG22      ILE  12   6.264   2.509 -14.420
    8   HG22  ILE  12          HG23      ILE  12   6.287   0.747 -14.456
    9   HD12  ILE  12          HD11      ILE  12   2.067   0.839 -13.186
   10   HD11  ILE  12          HD12      ILE  12   3.638   0.669 -12.421
   11   HD13  ILE  12          HD13      ILE  12   2.730  -0.761 -12.893

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.807 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.839   3.933 -17.789
    5   HG13  ILE  13          HG13      ILE  13   5.629   4.707 -19.356
    6   HG23  ILE  13          HG21      ILE  13   4.718   8.034 -17.940
    7   HG22  ILE  13          HG22      ILE  13   5.902   7.338 -19.046
    8   HG21  ILE  13          HG23      ILE  13   6.326   7.605 -17.356
    9   HD12  ILE  13          HD11      ILE  13   8.047   4.444 -18.257
   10   HD11  ILE  13          HD12      ILE  13   7.572   5.934 -17.444
   11   HD13  ILE  13          HD13      ILE  13   7.624   5.868 -19.205

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   19
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   19
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   19
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   19
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   19
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   19
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   19
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   19
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   19
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   19
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   19
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   19
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   19
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   19
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   19
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   19
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.027  -8.745
    4    HB3  HIS  52           HB3      HIS  52  -7.521   7.697  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.742   6.211  -9.274
    6    HD2  HIS  52           HD2      HIS  52  -6.581   5.092  -6.799
    7    HE1  HIS  52           HE1      HIS  52 -10.724   4.696  -7.506
    8    HE2  HIS  52           HE2      HIS  52  -8.811   4.008  -5.980

  No H/Q in entry =           8
  In of MODEL   19
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   19
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   19
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   19
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.899   3.589 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.877   4.755 -10.712
    5   HG21  THR  56          HG21      THR  56 -13.309   1.674 -10.746
    6   HG23  THR  56          HG22      THR  56 -13.816   3.359 -10.863
    7   HG22  THR  56          HG23      THR  56 -12.943   2.799  -9.439

  No H/Q in entry =           7
  In of MODEL   19
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   19
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.660  -1.976 -10.403
    4   HG12  ILE  59          HG12      ILE  59 -10.940  -4.349  -9.038
    5   HG13  ILE  59          HG13      ILE  59  -9.322  -4.407  -9.717
    6   HG23  ILE  59          HG21      ILE  59 -11.921  -1.111 -10.337
    7   HG22  ILE  59          HG22      ILE  59 -11.487  -1.648  -8.735
    8   HG21  ILE  59          HG23      ILE  59 -12.548  -2.633  -9.729
    9   HD12  ILE  59          HD11      ILE  59 -10.330  -2.780  -7.408
   10   HD11  ILE  59          HD12      ILE  59  -8.929  -2.230  -8.325
   11   HD13  ILE  59          HD13      ILE  59  -8.888  -3.791  -7.506

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   19
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   19
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   19
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   19
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   19
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   19
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   19
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   19
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LEU  74           H        LEU  74  -3.294  -7.031 -13.328
    2    HA   LEU  74           HA       LEU  74  -3.880  -4.376 -12.702
    3    HB2  LEU  74           HB2      LEU  74  -5.542  -6.158 -12.718
    4    HB3  LEU  74           HB3      LEU  74  -4.730  -6.972 -11.388
    5    HG   LEU  74           HG       LEU  74  -5.207  -5.030  -9.929
    6   HD11  LEU  74          HD11      LEU  74  -6.457  -4.007 -12.477
    7   HD13  LEU  74          HD12      LEU  74  -5.327  -3.185 -11.402
    8   HD12  LEU  74          HD13      LEU  74  -7.001  -3.427 -10.904
    9   HD22  LEU  74          HD21      LEU  74  -7.440  -5.680  -9.507
   10   HD21  LEU  74          HD22      LEU  74  -6.825  -7.048 -10.418
   11   HD23  LEU  74          HD23      LEU  74  -7.810  -5.833 -11.223

  No H/Q in entry =          11
  In of MODEL   19
    1    H    VAL  75           H        VAL  75  -2.158  -6.815 -10.917
    2    HA   VAL  75           HA       VAL  75  -1.904  -5.432  -8.449
    3    HB   VAL  75           HB       VAL  75  -0.272  -7.629  -9.729
    4   HG11  VAL  75          HG11      VAL  75   0.049  -6.333  -7.004
    5   HG13  VAL  75          HG12      VAL  75   1.245  -6.370  -8.300
    6   HG12  VAL  75          HG13      VAL  75   0.797  -7.860  -7.471
    7   HG21  VAL  75          HG21      VAL  75  -2.223  -7.541  -7.394
    8   HG23  VAL  75          HG22      VAL  75  -1.329  -8.973  -7.904
    9   HG22  VAL  75          HG23      VAL  75  -2.526  -8.253  -8.978

  No H/Q in entry =           9
  In of MODEL   19
    1    H    HIS  76           H        HIS  76   0.284  -5.611 -11.388
    2    HA   HIS  76           HA       HIS  76   2.393  -4.053 -10.403
    3    HB2  HIS  76           HB2      HIS  76   2.104  -5.342 -12.682
    4    HB3  HIS  76           HB3      HIS  76   1.550  -3.771 -13.260
    5    HD1  HIS  76           HD1      HIS  76   3.789  -2.934 -10.678
    6    HD2  HIS  76           HD2      HIS  76   4.342  -4.326 -14.568
    7    HE1  HIS  76           HE1      HIS  76   6.163  -2.334 -11.323

  No H/Q in entry =           7
  In of MODEL   19
    1    H    ALA  77           H        ALA  77  -0.567  -3.072 -12.104
    2    HA   ALA  77           HA       ALA  77   0.056  -0.293 -12.112
    3    HB3  ALA  77           HB1      ALA  77  -1.557  -0.859 -13.688
    4    HB2  ALA  77           HB2      ALA  77  -2.552  -0.168 -12.407
    5    HB1  ALA  77           HB3      ALA  77  -2.427  -1.919 -12.578

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLN  78           H        GLN  78  -1.853  -2.355  -9.932
    2    HA   GLN  78           HA       GLN  78  -2.795  -0.245  -8.288
    3    HB2  GLN  78           HB2      GLN  78  -3.623  -2.683  -8.448
    4    HB3  GLN  78           HB3      GLN  78  -2.307  -3.066  -7.339
    5    HG2  GLN  78           HG2      GLN  78  -3.185  -1.380  -5.750
    6    HG3  GLN  78           HG3      GLN  78  -4.532  -1.073  -6.843
    7   HE21  GLN  78          HE21      GLN  78  -4.407  -4.126  -7.517
    8   HE22  GLN  78          HE22      GLN  78  -5.249  -4.835  -6.225

  No H/Q in entry =           8
  In of MODEL   19
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   19
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.327   0.876 -10.472
    4    HB3  HIS  80           HB3      HIS  80   2.948   2.517 -10.296
    5    HD1  HIS  80           HD1      HIS  80   5.442   2.840 -10.387
    6    HD2  HIS  80           HD2      HIS  80   4.385  -1.179 -10.069
    7    HE1  HIS  80           HE1      HIS  80   7.586   1.508 -10.668
    8    HE2  HIS  80           HE2      HIS  80   6.953  -0.946 -10.477

  No H/Q in entry =           8
  In of MODEL   19
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   19
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   19
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   19
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   19
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   19
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   19
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   19
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   19
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   19
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   19
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   19
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   19
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   19
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   19
    1    H    PHE   9           H        PHE   9 -21.283   0.641  -3.905
    2    HA   PHE   9           HA       PHE   9 -18.524   1.536  -4.534
    3    HB2  PHE   9           HB2      PHE   9 -20.351   2.460  -2.310
    4    HB3  PHE   9           HB3      PHE   9 -18.642   2.875  -2.436
    5    HD1  PHE   9           HD1      PHE   9 -21.992   3.520  -3.682
    6    HD2  PHE   9           HD2      PHE   9 -17.813   4.182  -4.412
    7    HE1  PHE   9           HE1      PHE   9 -22.558   5.361  -5.242
    8    HE2  PHE   9           HE2      PHE   9 -18.379   6.023  -5.976
    9    HZ   PHE   9           HZ       PHE   9 -20.752   6.612  -6.391

  No H/Q in entry =           9
  In of MODEL   19
    1    H    CYS  10           H        CYS  10 -16.920   0.947  -3.194
    2    HA   CYS  10           HA       CYS  10 -17.180  -0.698  -0.849
    3    HB2  CYS  10           HB2      CYS  10 -16.127  -2.676  -1.615
    4    HB3  CYS  10           HB3      CYS  10 -17.298  -2.297  -2.882

  No H/Q in entry =           4
  In of MODEL   19
    1    H    SER  11           H        SER  11 -14.456  -1.422  -0.356
    2    HA   SER  11           HA       SER  11 -13.435   1.171   0.014
    3    HB2  SER  11           HB2      SER  11 -12.172  -1.549   0.181
    4    HB3  SER  11           HB3      SER  11 -11.200  -0.106   0.380
    5    HG   SER  11           HG       SER  11 -12.895  -1.277   2.104

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA  12           H        ALA  12 -12.196  -1.343  -2.320
    2    HA   ALA  12           HA       ALA  12 -10.805   0.878  -3.663
    3    HB1  ALA  12           HB1      ALA  12 -10.074  -1.832  -2.981
    4    HB3  ALA  12           HB2      ALA  12  -9.056  -0.526  -3.586
    5    HB2  ALA  12           HB3      ALA  12  -9.913  -1.571  -4.718

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLY  13           H        GLY  13 -13.017  -1.823  -4.194
    2    HA3  GLY  13           HA2      GLY  13 -14.777  -1.520  -5.846
    3    HA2  GLY  13           HA3      GLY  13 -13.591  -0.717  -6.868

  No H/Q in entry =           3
  In of MODEL   19
    1    H    MET  14           H        MET  14 -12.685  -3.666  -5.137
    2    HA   MET  14           HA       MET  14 -12.499  -4.964  -7.776
    3    HB2  MET  14           HB2      MET  14 -10.452  -4.701  -6.295
    4    HB3  MET  14           HB3      MET  14 -11.184  -5.903  -5.232
    5    HG2  MET  14           HG2      MET  14 -11.454  -7.288  -7.451
    6    HG3  MET  14           HG3      MET  14 -10.178  -6.228  -8.046
    7    HE2  MET  14           HE1      MET  14  -7.567  -7.106  -7.735
    8    HE1  MET  14           HE2      MET  14  -8.832  -7.983  -8.590
    9    HE3  MET  14           HE3      MET  14  -7.735  -8.853  -7.523

  No H/Q in entry =           9
  In of MODEL   19
    1    H    SER  15           H        SER  15 -12.852  -6.331  -4.531
    2    HA   SER  15           HA       SER  15 -14.093  -8.663  -5.216
    3    HB2  SER  15           HB2      SER  15 -13.447  -7.774  -2.874
    4    HB3  SER  15           HB3      SER  15 -15.100  -7.161  -2.825
    5    HG   SER  15           HG       SER  15 -15.562  -9.451  -3.614

  No H/Q in entry =           5
  In of MODEL   19
    1    H    THR  16           H        THR  16 -15.515  -5.473  -5.465
    2    HA   THR  16           HA       THR  16 -18.200  -6.684  -5.636
    3    HB   THR  16           HB       THR  16 -17.444  -3.768  -5.944
    4    HG1  THR  16           HG1      THR  16 -18.397  -3.843  -3.698
    5   HG22  THR  16          HG21      THR  16 -19.906  -3.623  -5.112
    6   HG21  THR  16          HG22      THR  16 -20.010  -5.309  -5.622
    7   HG23  THR  16          HG23      THR  16 -19.612  -4.055  -6.797

  No H/Q in entry =           7
  In of MODEL   19
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   19
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   19
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   19
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   19
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   19
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   19
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   19
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   19
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   19
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   19
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   19
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   19
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   19
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   19
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   19
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   19
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   19
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   19
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   19
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   19
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   19
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.007
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   19
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   19
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   19
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   19
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   19
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   19
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   19
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   19
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   19
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   19
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   19
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   19
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   19
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   19
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   19
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   19
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   19
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   19
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   19
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   19
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   19
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   19
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   19
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   19
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   19
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   19
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   19
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   19
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   19
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   19
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   20
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.288 -14.284  -2.728
    4    HB3  GLU   5           HB3      GLU   5 -14.696 -13.926  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.561 -11.553  -2.352
    6    HG3  GLU   5           HG3      GLU   5 -13.133 -11.883  -3.333

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   20
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   20
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   20
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.710  -8.427   1.550
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.705   1.336
    5    HG2  MET   9           HG2      MET   9 -14.275  -6.806  -0.975
    6    HG3  MET   9           HG3      MET   9 -13.803  -8.493  -0.781
    7    HE3  MET   9           HE1      MET   9 -17.416  -6.755   0.527
    8    HE2  MET   9           HE2      MET   9 -17.806  -6.517  -1.173
    9    HE1  MET   9           HE3      MET   9 -16.299  -5.884  -0.528

  No H/Q in entry =           9
  In of MODEL   20
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   20
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.943  -4.385   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.230  -6.168   0.972
    5   HG13  ILE  12          HG13      ILE  12  -9.706  -5.432  -0.545
    6   HG22  ILE  12          HG21      ILE  12  -8.743  -2.581   0.261
    7   HG21  ILE  12          HG22      ILE  12 -10.308  -2.054   0.883
    8   HG23  ILE  12          HG23      ILE  12 -10.213  -3.006  -0.604
    9   HD11  ILE  12          HD11      ILE  12  -7.634  -3.961  -0.302
   10   HD13  ILE  12          HD12      ILE  12  -7.336  -5.664  -0.599
   11   HD12  ILE  12          HD13      ILE  12  -7.175  -5.014   1.026

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.608   5.230
    4   HG12  ILE  13          HG12      ILE  13 -13.497  -3.062   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.926  -3.517   3.577
    6   HG23  ILE  13          HG21      ILE  13 -13.686  -1.811   6.730
    7   HG22  ILE  13          HG22      ILE  13 -15.148  -1.918   5.749
    8   HG21  ILE  13          HG23      ILE  13 -13.951  -0.666   5.414
    9   HD11  ILE  13          HD11      ILE  13 -14.207  -0.613   3.424
   10   HD13  ILE  13          HD12      ILE  13 -15.792  -1.363   3.564
   11   HD12  ILE  13          HD13      ILE  13 -14.948  -1.374   2.018

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   20
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   20
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   20
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   20
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   20
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   20
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   20
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   20
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   20
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   20
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   20
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   20
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   20
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   20
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   20
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   20
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.942  -6.670  10.562
    4    HB3  HIS  52           HB3      HIS  52  -1.113  -7.746  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.202 -10.090  11.761
    6    HD2  HIS  52           HD2      HIS  52   1.306  -7.176   8.993
    7    HE1  HIS  52           HE1      HIS  52   2.424 -10.827  10.794
    8    HE2  HIS  52           HE2      HIS  52   3.112  -9.060   9.105

  No H/Q in entry =           8
  In of MODEL   20
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   20
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   20
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   20
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.097 -14.214  10.983
    4    HG1  THR  56           HG1      THR  56   0.984 -12.562  10.874
    5   HG22  THR  56          HG21      THR  56   1.853 -14.300  10.478
    6   HG21  THR  56          HG22      THR  56   0.911 -15.713  10.007
    7   HG23  THR  56          HG23      THR  56   0.889 -15.157  11.680

  No H/Q in entry =           7
  In of MODEL   20
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   20
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.912
    4   HG12  ILE  59          HG12      ILE  59   2.384 -16.253   3.439
    5   HG13  ILE  59          HG13      ILE  59   1.137 -15.331   2.613
    6   HG21  ILE  59          HG21      ILE  59   1.118 -16.019   6.799
    7   HG23  ILE  59          HG22      ILE  59   2.389 -15.064   6.084
    8   HG22  ILE  59          HG23      ILE  59   2.284 -16.781   5.733
    9   HD13  ILE  59          HD11      ILE  59   2.989 -13.855   2.722
   10   HD12  ILE  59          HD12      ILE  59   3.336 -14.295   4.394
   11   HD11  ILE  59          HD13      ILE  59   1.915 -13.323   4.015

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   20
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   20
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   20
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   20
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   20
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   20
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   20
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   20
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LEU  74           H        LEU  74  -4.187 -13.627  -2.391
    2    HA   LEU  74           HA       LEU  74  -3.801 -12.463   0.120
    3    HB2  LEU  74           HB2      LEU  74  -2.874 -14.619  -0.563
    4    HB3  LEU  74           HB3      LEU  74  -1.846 -13.822  -1.749
    5    HG   LEU  74           HG       LEU  74  -0.711 -12.608   0.096
    6   HD12  LEU  74          HD11      LEU  74  -1.156 -13.710   2.419
    7   HD11  LEU  74          HD12      LEU  74  -2.697 -14.196   1.715
    8   HD13  LEU  74          HD13      LEU  74  -2.287 -12.485   1.845
    9   HD21  LEU  74          HD21      LEU  74  -0.162 -15.052  -0.817
   10   HD23  LEU  74          HD22      LEU  74  -0.616 -15.523   0.811
   11   HD22  LEU  74          HD23      LEU  74   0.712 -14.396   0.564

  No H/Q in entry =          11
  In of MODEL   20
    1    H    VAL  75           H        VAL  75  -2.661 -11.559  -3.021
    2    HA   VAL  75           HA       VAL  75  -0.700  -9.654  -2.197
    3    HB   VAL  75           HB       VAL  75  -2.216 -10.025  -4.795
    4   HG11  VAL  75          HG11      VAL  75   0.083  -8.155  -4.152
    5   HG13  VAL  75          HG12      VAL  75  -1.558  -7.676  -4.582
    6   HG12  VAL  75          HG13      VAL  75  -0.534  -8.478  -5.771
    7   HG21  VAL  75          HG21      VAL  75  -0.511 -11.771  -3.989
    8   HG23  VAL  75          HG22      VAL  75   0.716 -10.522  -4.197
    9   HG22  VAL  75          HG23      VAL  75  -0.218 -11.078  -5.584

  No H/Q in entry =           9
  In of MODEL   20
    1    H    HIS  76           H        HIS  76  -4.383  -9.265  -3.351
    2    HA   HIS  76           HA       HIS  76  -4.711  -6.495  -3.165
    3    HB2  HIS  76           HB2      HIS  76  -6.448  -8.078  -4.052
    4    HB3  HIS  76           HB3      HIS  76  -6.806  -8.554  -2.398
    5    HD1  HIS  76           HD1      HIS  76  -6.041  -4.939  -2.805
    6    HD2  HIS  76           HD2      HIS  76  -9.473  -7.331  -2.895
    7    HE1  HIS  76           HE1      HIS  76  -8.031  -3.361  -2.641

  No H/Q in entry =           7
  In of MODEL   20
    1    H    ALA  77           H        ALA  77  -4.705  -8.953  -0.662
    2    HA   ALA  77           HA       ALA  77  -5.517  -7.116   1.428
    3    HB2  ALA  77           HB1      ALA  77  -6.183  -9.330   1.844
    4    HB1  ALA  77           HB2      ALA  77  -4.788  -9.113   2.900
    5    HB3  ALA  77           HB3      ALA  77  -4.614  -9.992   1.381

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLN  78           H        GLN  78  -2.465  -8.795   0.531
    2    HA   GLN  78           HA       GLN  78  -0.928  -7.715   2.624
    3    HB2  GLN  78           HB2      GLN  78  -0.341  -9.650   1.063
    4    HB3  GLN  78           HB3      GLN  78   0.136  -8.426  -0.113
    5    HG2  GLN  78           HG2      GLN  78   1.706  -7.474   1.554
    6    HG3  GLN  78           HG3      GLN  78   1.269  -8.758   2.678
    7   HE21  GLN  78          HE21      GLN  78   3.152 -10.052   2.703
    8   HE22  GLN  78          HE22      GLN  78   3.860 -10.717   1.312

  No H/Q in entry =           8
  In of MODEL   20
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   20
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.202   1.174
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.805   2.202
    5    HD1  HIS  80           HD1      HIS  80  -6.729  -0.970   1.181
    6    HD2  HIS  80           HD2      HIS  80  -5.027  -3.433  -1.721
    7    HE1  HIS  80           HE1      HIS  80  -7.605  -0.152  -1.058
    8    HE2  HIS  80           HE2      HIS  80  -6.573  -1.648  -2.836

  No H/Q in entry =           8
  In of MODEL   20
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   20
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   20
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   20
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   20
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   20
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   20
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   20
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   20
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   20
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.425 -20.433  -4.410
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.883  -3.473
    5    HG2  GLU   5           HG2      GLU   5  10.892 -19.831  -1.473
    6    HG3  GLU   5           HG3      GLU   5   9.475 -19.339  -2.399

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   20
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   20
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   20
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.040 -16.705   0.859
    4    HB3  MET   9           HB3      MET   9  13.726 -16.163   2.508
    5    HG2  MET   9           HG2      MET   9  11.342 -16.600   2.243
    6    HG3  MET   9           HG3      MET   9  11.582 -17.033   0.550
    7    HE3  MET   9           HE1      MET   9  13.986 -18.313   3.760
    8    HE2  MET   9           HE2      MET   9  12.587 -19.198   4.364
    9    HE1  MET   9           HE3      MET   9  12.459 -17.469   4.047

  No H/Q in entry =           9
  In of MODEL   20
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   20
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.953   2.308
    4   HG12  ILE  12          HG12      ILE  12  10.846 -11.553  -0.015
    5   HG13  ILE  12          HG13      ILE  12   9.639 -12.257   1.041
    6   HG21  ILE  12          HG21      ILE  12   9.734  -9.766   3.062
    7   HG23  ILE  12          HG22      ILE  12  10.857 -10.593   4.142
    8   HG22  ILE  12          HG23      ILE  12   9.513 -11.477   3.422
    9   HD11  ILE  12          HD11      ILE  12   8.806  -9.862   1.395
   10   HD13  ILE  12          HD12      ILE  12   8.535 -10.560  -0.192
   11   HD12  ILE  12          HD13      ILE  12   9.855  -9.425   0.055

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.098 -11.639   3.843
    4   HG12  ILE  13          HG12      ILE  13  13.810 -12.619   4.673
    5   HG13  ILE  13          HG13      ILE  13  15.288 -13.527   4.967
    6   HG23  ILE  13          HG21      ILE  13  17.366 -10.401   5.421
    7   HG22  ILE  13          HG22      ILE  13  17.086 -11.959   6.197
    8   HG21  ILE  13          HG23      ILE  13  16.124 -10.556   6.663
    9   HD11  ILE  13          HD11      ILE  13  14.418 -11.552   7.043
   10   HD13  ILE  13          HD12      ILE  13  15.275 -13.079   7.239
   11   HD12  ILE  13          HD13      ILE  13  13.541 -13.076   6.924

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   20
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   20
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   20
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   20
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   20
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   20
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   20
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   20
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   20
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   20
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   20
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   20
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   20
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   20
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   20
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   20
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.311  -1.676  -5.687
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.651
    5    HD1  HIS  52           HD1      HIS  52  17.415  -2.057  -9.304
    6    HD2  HIS  52           HD2      HIS  52  14.052  -0.905  -7.126
    7    HE1  HIS  52           HE1      HIS  52  15.744  -1.167 -10.985
    8    HE2  HIS  52           HE2      HIS  52  13.688  -0.459  -9.673

  No H/Q in entry =           8
  In of MODEL   20
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   20
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   20
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   20
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.060
    4    HG1  THR  56           HG1      THR  56  16.663  -3.092 -11.721
    5   HG22  THR  56          HG21      THR  56  16.182  -3.487 -13.608
    6   HG21  THR  56          HG22      THR  56  16.334  -5.112 -14.272
    7   HG23  THR  56          HG23      THR  56  17.777  -4.151 -13.960

  No H/Q in entry =           7
  In of MODEL   20
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   20
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.842  -7.161 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.885  -7.038 -14.831
    5   HG13  ILE  59          HG13      ILE  59   9.524  -7.851 -13.316
    6   HG21  ILE  59          HG21      ILE  59  13.402  -6.457 -14.324
    7   HG23  ILE  59          HG22      ILE  59  12.106  -5.313 -14.089
    8   HG22  ILE  59          HG23      ILE  59  12.067  -6.407 -15.462
    9   HD13  ILE  59          HD11      ILE  59   8.656  -5.662 -13.036
   10   HD12  ILE  59          HD12      ILE  59  10.084  -4.924 -13.760
   11   HD11  ILE  59          HD13      ILE  59  10.186  -5.655 -12.159

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   20
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   20
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   20
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   20
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   20
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   20
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   20
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   20
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LEU  74           H        LEU  74   6.935 -13.102  -8.614
    2    HA   LEU  74           HA       LEU  74   8.862 -11.147  -8.093
    3    HB2  LEU  74           HB2      LEU  74   8.168 -11.850 -10.333
    4    HB3  LEU  74           HB3      LEU  74   6.567 -11.170 -10.067
    5    HG   LEU  74           HG       LEU  74   7.577  -8.922  -9.839
    6   HD12  LEU  74          HD11      LEU  74  10.028  -8.831 -10.732
    7   HD11  LEU  74          HD12      LEU  74  10.096 -10.525 -10.250
    8   HD13  LEU  74          HD13      LEU  74   9.767  -9.278  -9.047
    9   HD21  LEU  74          HD21      LEU  74   6.928 -10.162 -12.105
   10   HD23  LEU  74          HD22      LEU  74   8.654 -10.062 -12.402
   11   HD22  LEU  74          HD23      LEU  74   7.724  -8.591 -12.144

  No H/Q in entry =          11
  In of MODEL   20
    1    H    VAL  75           H        VAL  75   5.396 -11.099  -7.745
    2    HA   VAL  75           HA       VAL  75   5.079  -8.336  -7.164
    3    HB   VAL  75           HB       VAL  75   3.409 -10.761  -6.452
    4   HG11  VAL  75          HG11      VAL  75   2.755  -7.820  -6.095
    5   HG13  VAL  75          HG12      VAL  75   3.036  -8.975  -4.792
    6   HG12  VAL  75          HG13      VAL  75   1.633  -9.157  -5.844
    7   HG21  VAL  75          HG21      VAL  75   3.675  -9.993  -8.888
    8   HG23  VAL  75          HG22      VAL  75   2.821  -8.525  -8.415
    9   HG22  VAL  75          HG23      VAL  75   2.021 -10.090  -8.283

  No H/Q in entry =           9
  In of MODEL   20
    1    H    HIS  76           H        HIS  76   5.559 -11.259  -4.992
    2    HA   HIS  76           HA       HIS  76   5.357  -9.962  -2.518
    3    HB2  HIS  76           HB2      HIS  76   5.579 -12.475  -2.977
    4    HB3  HIS  76           HB3      HIS  76   7.319 -12.189  -3.050
    5    HD1  HIS  76           HD1      HIS  76   5.444 -10.018  -0.721
    6    HD2  HIS  76           HD2      HIS  76   7.502 -13.638  -0.513
    7    HE1  HIS  76           HE1      HIS  76   5.829 -10.483   1.738

  No H/Q in entry =           7
  In of MODEL   20
    1    H    ALA  77           H        ALA  77   8.176 -10.450  -4.619
    2    HA   ALA  77           HA       ALA  77  10.015  -9.160  -2.857
    3    HB1  ALA  77           HB1      ALA  77  11.024 -10.596  -4.408
    4    HB3  ALA  77           HB2      ALA  77  11.388  -8.997  -5.055
    5    HB2  ALA  77           HB3      ALA  77  10.087  -9.956  -5.760

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLN  78           H        GLN  78   8.154  -8.067  -5.690
    2    HA   GLN  78           HA       GLN  78   9.285  -5.474  -5.801
    3    HB2  GLN  78           HB2      GLN  78   7.900  -6.693  -7.583
    4    HB3  GLN  78           HB3      GLN  78   6.482  -6.189  -6.666
    5    HG2  GLN  78           HG2      GLN  78   7.216  -3.833  -6.859
    6    HG3  GLN  78           HG3      GLN  78   8.591  -4.353  -7.831
    7   HE21  GLN  78          HE21      GLN  78   8.040  -3.598  -9.912
    8   HE22  GLN  78          HE22      GLN  78   6.590  -3.985 -10.705

  No H/Q in entry =           8
  In of MODEL   20
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   20
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.162  -7.454  -0.515
    4    HB3  HIS  80           HB3      HIS  80  10.041  -6.565   0.729
    5    HD1  HIS  80           HD1      HIS  80   9.425  -7.065   3.089
    6    HD2  HIS  80           HD2      HIS  80   6.432  -8.240   0.435
    7    HE1  HIS  80           HE1      HIS  80   7.651  -8.239   4.478
    8    HE2  HIS  80           HE2      HIS  80   5.820  -8.959   2.869

  No H/Q in entry =           8
  In of MODEL   20
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   20
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   20
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   20
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   20
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   20
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   20
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   20
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   20
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   20
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.116  -6.384 -21.720
    4    HB3  GLU   5           HB3      GLU   5   0.406  -5.158 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.477  -4.481 -21.832
    6    HG3  GLU   5           HG3      GLU   5   2.182  -5.644 -20.543

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   20
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   20
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   20
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.437 -21.000
    4    HB3  MET   9           HB3      MET   9   4.427   1.168 -20.551
    5    HG2  MET   9           HG2      MET   9   5.213  -0.961 -19.646
    6    HG3  MET   9           HG3      MET   9   3.649  -1.706 -19.977
    7    HE3  MET   9           HE1      MET   9   5.770   0.794 -22.617
    8    HE2  MET   9           HE2      MET   9   7.009  -0.457 -22.692
    9    HE1  MET   9           HE3      MET   9   6.517   0.194 -21.131

  No H/Q in entry =           9
  In of MODEL   20
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   20
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.474   1.686 -15.888
    4   HG12  ILE  12          HG12      ILE  12   2.664   0.281 -14.877
    5   HG13  ILE  12          HG13      ILE  12   4.208  -0.541 -14.958
    6   HG21  ILE  12          HG21      ILE  12   5.637   1.648 -13.094
    7   HG23  ILE  12          HG22      ILE  12   6.273   2.519 -14.489
    8   HG22  ILE  12          HG23      ILE  12   6.293   0.757 -14.466
    9   HD11  ILE  12          HD11      ILE  12   4.532   0.177 -12.531
   10   HD13  ILE  12          HD12      ILE  12   3.290  -1.027 -12.822
   11   HD12  ILE  12          HD13      ILE  12   2.842   0.653 -12.560

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.808 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.834   3.931 -17.792
    5   HG13  ILE  13          HG13      ILE  13   5.631   4.710 -19.358
    6   HG23  ILE  13          HG21      ILE  13   4.763   8.052 -17.804
    7   HG22  ILE  13          HG22      ILE  13   5.769   7.376 -19.084
    8   HG21  ILE  13          HG23      ILE  13   6.416   7.548 -17.454
    9   HD11  ILE  13          HD11      ILE  13   7.578   5.926 -17.438
   10   HD13  ILE  13          HD12      ILE  13   7.629   5.862 -19.198
   11   HD12  ILE  13          HD13      ILE  13   8.041   4.433 -18.252

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   20
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   20
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   20
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   20
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   20
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   20
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   20
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   20
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   20
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   20
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   20
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   20
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   20
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   20
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   20
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   20
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.034  -8.749
    4    HB3  HIS  52           HB3      HIS  52  -7.528   7.694  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.731   6.163  -9.286
    6    HD2  HIS  52           HD2      HIS  52  -6.569   5.130  -6.775
    7    HE1  HIS  52           HE1      HIS  52 -10.699   4.652  -7.505
    8    HE2  HIS  52           HE2      HIS  52  -8.785   4.017  -5.958

  No H/Q in entry =           8
  In of MODEL   20
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   20
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   20
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   20
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.896   3.590 -12.098
    4    HG1  THR  56           HG1      THR  56 -11.469   4.025  -9.508
    5   HG22  THR  56          HG21      THR  56 -12.950   2.755  -9.437
    6   HG21  THR  56          HG22      THR  56 -13.321   1.686 -10.789
    7   HG23  THR  56          HG23      THR  56 -13.806   3.379 -10.847

  No H/Q in entry =           7
  In of MODEL   20
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   20
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.665  -1.970 -10.405
    4   HG12  ILE  59          HG12      ILE  59 -10.930  -4.329  -9.007
    5   HG13  ILE  59          HG13      ILE  59  -9.336  -4.423  -9.738
    6   HG23  ILE  59          HG21      ILE  59 -11.940  -1.128 -10.335
    7   HG22  ILE  59          HG22      ILE  59 -11.486  -1.649  -8.734
    8   HG21  ILE  59          HG23      ILE  59 -12.544  -2.653  -9.712
    9   HD13  ILE  59          HD11      ILE  59  -8.856  -3.808  -7.523
   10   HD12  ILE  59          HD12      ILE  59 -10.239  -2.719  -7.435
   11   HD11  ILE  59          HD13      ILE  59  -8.822  -2.267  -8.381

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   20
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   20
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   20
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   20
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   20
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   20
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   20
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   20
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LEU  74           H        LEU  74  -3.290  -7.030 -13.322
    2    HA   LEU  74           HA       LEU  74  -3.871  -4.373 -12.699
    3    HB2  LEU  74           HB2      LEU  74  -5.515  -6.194 -12.717
    4    HB3  LEU  74           HB3      LEU  74  -4.723  -6.945 -11.338
    5    HG   LEU  74           HG       LEU  74  -5.246  -4.946  -9.972
    6   HD12  LEU  74          HD11      LEU  74  -7.066  -3.435 -11.071
    7   HD11  LEU  74          HD12      LEU  74  -6.424  -4.044 -12.596
    8   HD13  LEU  74          HD13      LEU  74  -5.378  -3.152 -11.493
    9   HD21  LEU  74          HD21      LEU  74  -6.849  -7.019 -10.463
   10   HD23  LEU  74          HD22      LEU  74  -7.839  -5.793 -11.236
   11   HD22  LEU  74          HD23      LEU  74  -7.431  -5.640  -9.532

  No H/Q in entry =          11
  In of MODEL   20
    1    H    VAL  75           H        VAL  75  -2.158  -6.816 -10.911
    2    HA   VAL  75           HA       VAL  75  -1.906  -5.433  -8.444
    3    HB   VAL  75           HB       VAL  75  -0.245  -7.623  -9.705
    4   HG11  VAL  75          HG11      VAL  75  -0.074  -6.463  -6.905
    5   HG13  VAL  75          HG12      VAL  75   1.154  -6.300  -8.159
    6   HG12  VAL  75          HG13      VAL  75   0.795  -7.886  -7.478
    7   HG21  VAL  75          HG21      VAL  75  -2.663  -8.043  -8.946
    8   HG23  VAL  75          HG22      VAL  75  -2.100  -7.729  -7.305
    9   HG22  VAL  75          HG23      VAL  75  -1.436  -9.080  -8.220

  No H/Q in entry =           9
  In of MODEL   20
    1    H    HIS  76           H        HIS  76   0.300  -5.630 -11.368
    2    HA   HIS  76           HA       HIS  76   2.408  -4.078 -10.359
    3    HB2  HIS  76           HB2      HIS  76   2.288  -5.396 -12.570
    4    HB3  HIS  76           HB3      HIS  76   1.535  -3.948 -13.238
    5    HD1  HIS  76           HD1      HIS  76   3.421  -2.970 -14.599
    6    HD2  HIS  76           HD2      HIS  76   4.620  -3.947 -10.729
    7    HE1  HIS  76           HE1      HIS  76   5.772  -2.067 -14.328

  No H/Q in entry =           7
  In of MODEL   20
    1    H    ALA  77           H        ALA  77  -0.537  -3.103 -12.086
    2    HA   ALA  77           HA       ALA  77   0.109  -0.325 -12.120
    3    HB1  ALA  77           HB1      ALA  77  -1.490  -0.962 -13.711
    4    HB2  ALA  77           HB2      ALA  77  -2.461  -0.149 -12.485
    5    HB3  ALA  77           HB3      ALA  77  -2.418  -1.910 -12.548

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLN  78           H        GLN  78  -1.833  -2.360  -9.944
    2    HA   GLN  78           HA       GLN  78  -2.778  -0.233  -8.323
    3    HB2  GLN  78           HB2      GLN  78  -3.653  -2.638  -8.465
    4    HB3  GLN  78           HB3      GLN  78  -2.322  -3.069  -7.391
    5    HG2  GLN  78           HG2      GLN  78  -3.127  -1.390  -5.756
    6    HG3  GLN  78           HG3      GLN  78  -4.490  -1.033  -6.815
    7   HE21  GLN  78          HE21      GLN  78  -6.248  -1.934  -5.673
    8   HE22  GLN  78          HE22      GLN  78  -6.318  -3.553  -5.167

  No H/Q in entry =           8
  In of MODEL   20
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   20
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.316   0.891 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.966   2.520 -10.292
    5    HD1  HIS  80           HD1      HIS  80   5.416   2.776 -10.638
    6    HD2  HIS  80           HD2      HIS  80   4.385  -1.180  -9.826
    7    HE1  HIS  80           HE1      HIS  80   7.550   1.416 -10.861
    8    HE2  HIS  80           HE2      HIS  80   6.933  -0.999 -10.369

  No H/Q in entry =           8
  In of MODEL   20
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   20
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   20
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   20
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   20
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   20
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   20
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   20
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   20
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   20
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   20
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   20
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   20
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   20
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   20
    1    H    PHE   9           H        PHE   9 -21.293   0.645  -3.916
    2    HA   PHE   9           HA       PHE   9 -18.533   1.548  -4.528
    3    HB2  PHE   9           HB2      PHE   9 -20.377   2.465  -2.314
    4    HB3  PHE   9           HB3      PHE   9 -18.671   2.890  -2.433
    5    HD1  PHE   9           HD1      PHE   9 -22.020   3.480  -3.734
    6    HD2  PHE   9           HD2      PHE   9 -17.841   4.234  -4.367
    7    HE1  PHE   9           HE1      PHE   9 -22.590   5.316  -5.298
    8    HE2  PHE   9           HE2      PHE   9 -18.410   6.070  -5.936
    9    HZ   PHE   9           HZ       PHE   9 -20.786   6.611  -6.401

  No H/Q in entry =           9
  In of MODEL   20
    1    H    CYS  10           H        CYS  10 -16.942   0.959  -3.192
    2    HA   CYS  10           HA       CYS  10 -17.208  -0.668  -0.838
    3    HB2  CYS  10           HB2      CYS  10 -16.155  -2.654  -1.584
    4    HB3  CYS  10           HB3      CYS  10 -17.329  -2.288  -2.852

  No H/Q in entry =           4
  In of MODEL   20
    1    H    SER  11           H        SER  11 -14.457  -1.410  -0.387
    2    HA   SER  11           HA       SER  11 -13.467   1.214  -0.038
    3    HB2  SER  11           HB2      SER  11 -11.205  -0.202   0.234
    4    HB3  SER  11           HB3      SER  11 -12.433  -0.155   1.481
    5    HG   SER  11           HG       SER  11 -11.667  -2.195  -0.183

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA  12           H        ALA  12 -12.204  -1.357  -2.328
    2    HA   ALA  12           HA       ALA  12 -10.792   0.856  -3.663
    3    HB2  ALA  12           HB1      ALA  12  -9.855  -1.582  -4.678
    4    HB1  ALA  12           HB2      ALA  12 -10.070  -1.858  -2.950
    5    HB3  ALA  12           HB3      ALA  12  -9.040  -0.541  -3.510

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLY  13           H        GLY  13 -13.120  -1.703  -4.133
    2    HA3  GLY  13           HA2      GLY  13 -14.816  -1.498  -5.810
    3    HA2  GLY  13           HA3      GLY  13 -13.649  -0.674  -6.837

  No H/Q in entry =           3
  In of MODEL   20
    1    H    MET  14           H        MET  14 -12.717  -3.624  -5.128
    2    HA   MET  14           HA       MET  14 -12.517  -4.908  -7.773
    3    HB2  MET  14           HB2      MET  14 -10.462  -4.636  -6.329
    4    HB3  MET  14           HB3      MET  14 -11.180  -5.808  -5.223
    5    HG2  MET  14           HG2      MET  14 -11.467  -7.279  -7.364
    6    HG3  MET  14           HG3      MET  14 -10.245  -6.215  -8.056
    7    HE1  MET  14           HE1      MET  14  -8.977  -8.035  -8.584
    8    HE3  MET  14           HE2      MET  14  -7.840  -8.896  -7.550
    9    HE2  MET  14           HE3      MET  14  -7.606  -7.180  -7.868

  No H/Q in entry =           9
  In of MODEL   20
    1    H    SER  15           H        SER  15 -12.854  -6.277  -4.527
    2    HA   SER  15           HA       SER  15 -14.070  -8.625  -5.201
    3    HB2  SER  15           HB2      SER  15 -15.110  -7.133  -2.821
    4    HB3  SER  15           HB3      SER  15 -14.760  -8.853  -2.996
    5    HG   SER  15           HG       SER  15 -12.547  -7.491  -3.524

  No H/Q in entry =           5
  In of MODEL   20
    1    H    THR  16           H        THR  16 -15.518  -5.454  -5.455
    2    HA   THR  16           HA       THR  16 -18.196  -6.676  -5.632
    3    HB   THR  16           HB       THR  16 -17.449  -3.758  -5.945
    4    HG1  THR  16           HG1      THR  16 -18.655  -4.331  -3.643
    5   HG21  THR  16          HG21      THR  16 -20.012  -5.305  -5.625
    6   HG23  THR  16          HG22      THR  16 -19.615  -4.051  -6.801
    7   HG22  THR  16          HG23      THR  16 -19.913  -3.618  -5.117

  No H/Q in entry =           7
  In of MODEL   20
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   20
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   20
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   20
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   20
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   20
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   20
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   20
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   20
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   20
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   20
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   20
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   20
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   20
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   20
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   20
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   20
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   20
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   20
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   20
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   20
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   20
    1    HA   PRO  58           HA       PRO  58 -23.312  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.794  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   20
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   20
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   20
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   20
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   20
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   20
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   20
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   20
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   20
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   20
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   20
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   20
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   20
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   20
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   20
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   20
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   20
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   20
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   20
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   20
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   20
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   20
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   20
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   20
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   20
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   20
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   20
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   20
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   20
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   20
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   21
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.300 -14.303  -2.713
    4    HB3  GLU   5           HB3      GLU   5 -14.706 -13.901  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.806 -12.526  -3.702
    6    HG3  GLU   5           HG3      GLU   5 -14.350 -11.481  -2.357

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   21
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   21
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   21
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.711  -8.426   1.551
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.704   1.334
    5    HG2  MET   9           HG2      MET   9 -14.253  -6.815  -0.977
    6    HG3  MET   9           HG3      MET   9 -13.818  -8.512  -0.776
    7    HE2  MET   9           HE1      MET   9 -17.825  -6.490  -1.185
    8    HE1  MET   9           HE2      MET   9 -16.270  -5.834  -0.682
    9    HE3  MET   9           HE3      MET   9 -17.310  -6.614   0.500

  No H/Q in entry =           9
  In of MODEL   21
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   21
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.950  -4.356   1.273
    4   HG12  ILE  12          HG12      ILE  12  -9.339  -6.200   0.969
    5   HG13  ILE  12          HG13      ILE  12  -9.694  -5.415  -0.557
    6   HG23  ILE  12          HG21      ILE  12 -10.221  -2.983  -0.606
    7   HG22  ILE  12          HG22      ILE  12  -8.699  -2.636   0.216
    8   HG21  ILE  12          HG23      ILE  12 -10.229  -2.059   0.890
    9   HD13  ILE  12          HD11      ILE  12  -7.326  -5.758  -0.502
   10   HD12  ILE  12          HD12      ILE  12  -7.216  -5.172   1.148
   11   HD11  ILE  12          HD13      ILE  12  -7.584  -4.055  -0.159

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.608   5.230
    4   HG12  ILE  13          HG12      ILE  13 -13.496  -3.055   2.663
    5   HG13  ILE  13          HG13      ILE  13 -14.922  -3.521   3.575
    6   HG22  ILE  13          HG21      ILE  13 -15.148  -1.913   5.744
    7   HG21  ILE  13          HG22      ILE  13 -13.945  -0.666   5.417
    8   HG23  ILE  13          HG23      ILE  13 -13.690  -1.814   6.731
    9   HD13  ILE  13          HD11      ILE  13 -15.806  -1.373   3.557
   10   HD12  ILE  13          HD12      ILE  13 -14.943  -1.366   2.024
   11   HD11  ILE  13          HD13      ILE  13 -14.219  -0.616   3.444

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   21
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   21
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   21
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   21
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   21
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   21
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   21
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   21
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   21
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   21
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   21
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   21
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   21
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   21
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   21
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   21
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.927  -6.677  10.542
    4    HB3  HIS  52           HB3      HIS  52  -1.126  -7.723  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.256  -9.982  11.952
    6    HD2  HIS  52           HD2      HIS  52   1.242  -7.343   8.880
    7    HE1  HIS  52           HE1      HIS  52   2.456 -10.791  10.993
    8    HE2  HIS  52           HE2      HIS  52   3.072  -9.191   9.119

  No H/Q in entry =           8
  In of MODEL   21
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   21
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   21
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   21
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.221  10.983
    4    HG1  THR  56           HG1      THR  56   0.440 -12.228   9.762
    5   HG23  THR  56          HG21      THR  56   0.895 -15.188  11.664
    6   HG22  THR  56          HG22      THR  56   1.850 -14.266  10.504
    7   HG21  THR  56          HG23      THR  56   0.942 -15.680   9.972

  No H/Q in entry =           7
  In of MODEL   21
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   21
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.915
    4   HG12  ILE  59          HG12      ILE  59   2.395 -16.240   3.446
    5   HG13  ILE  59          HG13      ILE  59   1.134 -15.346   2.611
    6   HG21  ILE  59          HG21      ILE  59   1.121 -16.032   6.796
    7   HG23  ILE  59          HG22      ILE  59   2.385 -15.062   6.088
    8   HG22  ILE  59          HG23      ILE  59   2.293 -16.777   5.725
    9   HD11  ILE  59          HD11      ILE  59   1.872 -13.305   3.963
   10   HD13  ILE  59          HD12      ILE  59   2.988 -13.858   2.714
   11   HD12  ILE  59          HD13      ILE  59   3.295 -14.247   4.406

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   21
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   21
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   21
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   21
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   21
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   21
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   21
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   21
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LEU  74           H        LEU  74  -4.199 -13.630  -2.397
    2    HA   LEU  74           HA       LEU  74  -3.779 -12.471   0.109
    3    HB2  LEU  74           HB2      LEU  74  -2.866 -14.629  -0.599
    4    HB3  LEU  74           HB3      LEU  74  -1.840 -13.824  -1.781
    5    HG   LEU  74           HG       LEU  74  -0.677 -12.644   0.054
    6   HD13  LEU  74          HD11      LEU  74  -2.235 -12.460   1.801
    7   HD12  LEU  74          HD12      LEU  74  -1.151 -13.719   2.391
    8   HD11  LEU  74          HD13      LEU  74  -2.710 -14.154   1.689
    9   HD21  LEU  74          HD21      LEU  74  -0.176 -15.103  -0.831
   10   HD23  LEU  74          HD22      LEU  74  -0.656 -15.556   0.794
   11   HD22  LEU  74          HD23      LEU  74   0.700 -14.461   0.556

  No H/Q in entry =          11
  In of MODEL   21
    1    H    VAL  75           H        VAL  75  -2.720 -11.530  -3.050
    2    HA   VAL  75           HA       VAL  75  -0.728  -9.647  -2.224
    3    HB   VAL  75           HB       VAL  75  -2.248 -10.040  -4.813
    4   HG11  VAL  75          HG11      VAL  75  -0.080  -8.039  -4.124
    5   HG13  VAL  75          HG12      VAL  75  -1.708  -7.689  -4.703
    6   HG12  VAL  75          HG13      VAL  75  -0.538  -8.455  -5.774
    7   HG21  VAL  75          HG21      VAL  75  -0.509 -11.741  -4.070
    8   HG23  VAL  75          HG22      VAL  75   0.692 -10.454  -4.170
    9   HG22  VAL  75          HG23      VAL  75  -0.169 -10.968  -5.619

  No H/Q in entry =           9
  In of MODEL   21
    1    H    HIS  76           H        HIS  76  -4.417  -9.244  -3.350
    2    HA   HIS  76           HA       HIS  76  -4.739  -6.474  -3.150
    3    HB2  HIS  76           HB2      HIS  76  -6.488  -8.043  -4.031
    4    HB3  HIS  76           HB3      HIS  76  -6.828  -8.538  -2.379
    5    HD1  HIS  76           HD1      HIS  76  -6.065  -4.931  -2.644
    6    HD2  HIS  76           HD2      HIS  76  -9.503  -7.298  -2.941
    7    HE1  HIS  76           HE1      HIS  76  -8.054  -3.350  -2.470

  No H/Q in entry =           7
  In of MODEL   21
    1    H    ALA  77           H        ALA  77  -4.725  -8.938  -0.650
    2    HA   ALA  77           HA       ALA  77  -5.519  -7.101   1.446
    3    HB1  ALA  77           HB1      ALA  77  -4.741  -9.121   2.898
    4    HB3  ALA  77           HB2      ALA  77  -4.661  -9.979   1.360
    5    HB2  ALA  77           HB3      ALA  77  -6.191  -9.295   1.908

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLN  78           H        GLN  78  -2.475  -8.791   0.538
    2    HA   GLN  78           HA       GLN  78  -0.925  -7.715   2.622
    3    HB2  GLN  78           HB2      GLN  78  -0.351  -9.647   1.049
    4    HB3  GLN  78           HB3      GLN  78   0.129  -8.418  -0.121
    5    HG2  GLN  78           HG2      GLN  78   1.709  -7.483   1.542
    6    HG3  GLN  78           HG3      GLN  78   1.262  -8.761   2.669
    7   HE21  GLN  78          HE21      GLN  78   3.956  -8.544   1.790
    8   HE22  GLN  78          HE22      GLN  78   4.310  -9.864   0.784

  No H/Q in entry =           8
  In of MODEL   21
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   21
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.201   1.165
    4    HB3  HIS  80           HB3      HIS  80  -5.387  -2.813   2.206
    5    HD1  HIS  80           HD1      HIS  80  -6.612  -0.878   1.188
    6    HD2  HIS  80           HD2      HIS  80  -5.149  -3.498  -1.708
    7    HE1  HIS  80           HE1      HIS  80  -7.521  -0.066  -1.040
    8    HE2  HIS  80           HE2      HIS  80  -6.636  -1.657  -2.814

  No H/Q in entry =           8
  In of MODEL   21
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   21
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   21
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   21
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   21
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   21
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   21
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   21
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   21
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   21
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.447 -20.445  -4.422
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.878  -3.445
    5    HG2  GLU   5           HG2      GLU   5   9.917 -21.079  -2.029
    6    HG3  GLU   5           HG3      GLU   5  10.787 -19.632  -1.523

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   21
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   21
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   21
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.038 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.729 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.334 -16.583   2.230
    6    HG3  MET   9           HG3      MET   9  11.591 -17.053   0.549
    7    HE2  MET   9           HE1      MET   9  12.562 -19.201   4.407
    8    HE1  MET   9           HE2      MET   9  12.259 -17.490   4.110
    9    HE3  MET   9           HE3      MET   9  13.872 -18.151   3.854

  No H/Q in entry =           9
  In of MODEL   21
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   21
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.948   2.325
    4   HG12  ILE  12          HG12      ILE  12  10.872 -11.660   0.010
    5   HG13  ILE  12          HG13      ILE  12   9.592 -12.219   1.067
    6   HG22  ILE  12          HG21      ILE  12   9.514 -11.477   3.425
    7   HG21  ILE  12          HG22      ILE  12   9.705  -9.769   3.032
    8   HG23  ILE  12          HG23      ILE  12  10.842 -10.555   4.125
    9   HD13  ILE  12          HD11      ILE  12   8.617 -10.517  -0.269
   10   HD12  ILE  12          HD12      ILE  12  10.019  -9.476  -0.100
   11   HD11  ILE  12          HD13      ILE  12   8.955  -9.746   1.273

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.101 -11.637   3.844
    4   HG12  ILE  13          HG12      ILE  13  13.812 -12.621   4.665
    5   HG13  ILE  13          HG13      ILE  13  15.290 -13.528   4.966
    6   HG22  ILE  13          HG21      ILE  13  17.084 -11.961   6.199
    7   HG21  ILE  13          HG22      ILE  13  16.121 -10.560   6.666
    8   HG23  ILE  13          HG23      ILE  13  17.365 -10.401   5.426
    9   HD13  ILE  13          HD11      ILE  13  15.254 -13.095   7.240
   10   HD12  ILE  13          HD12      ILE  13  13.523 -13.058   6.912
   11   HD11  ILE  13          HD13      ILE  13  14.428 -11.551   7.036

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   21
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   21
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   21
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   21
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   21
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   21
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   21
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   21
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   21
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   21
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   21
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   21
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   21
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   21
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   21
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   21
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.288  -1.676  -5.699
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.625
    5    HD1  HIS  52           HD1      HIS  52  17.550  -1.881  -9.260
    6    HD2  HIS  52           HD2      HIS  52  14.001  -1.086  -7.223
    7    HE1  HIS  52           HE1      HIS  52  15.905  -1.040 -10.991
    8    HE2  HIS  52           HE2      HIS  52  13.736  -0.549  -9.765

  No H/Q in entry =           8
  In of MODEL   21
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   21
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   21
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   21
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.066
    4    HG1  THR  56           HG1      THR  56  15.816  -3.800 -11.045
    5   HG23  THR  56          HG21      THR  56  17.768  -4.168 -13.986
    6   HG22  THR  56          HG22      THR  56  16.202  -3.465 -13.583
    7   HG21  THR  56          HG23      THR  56  16.290  -5.090 -14.257

  No H/Q in entry =           7
  In of MODEL   21
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   21
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.841  -7.161 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.891  -7.016 -14.833
    5   HG13  ILE  59          HG13      ILE  59   9.524  -7.862 -13.337
    6   HG21  ILE  59          HG21      ILE  59  13.403  -6.463 -14.328
    7   HG23  ILE  59          HG22      ILE  59  12.114  -5.314 -14.082
    8   HG22  ILE  59          HG23      ILE  59  12.063  -6.401 -15.460
    9   HD11  ILE  59          HD11      ILE  59  10.149  -5.702 -12.120
   10   HD13  ILE  59          HD12      ILE  59   8.647  -5.669 -13.043
   11   HD12  ILE  59          HD13      ILE  59  10.103  -4.924 -13.702

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   21
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   21
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   21
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   21
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   21
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   21
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   21
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   21
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LEU  74           H        LEU  74   6.928 -13.104  -8.612
    2    HA   LEU  74           HA       LEU  74   8.855 -11.144  -8.101
    3    HB2  LEU  74           HB2      LEU  74   8.158 -11.856 -10.337
    4    HB3  LEU  74           HB3      LEU  74   6.556 -11.177 -10.071
    5    HG   LEU  74           HG       LEU  74   7.564  -8.928  -9.853
    6   HD13  LEU  74          HD11      LEU  74   9.749  -9.265  -9.066
    7   HD12  LEU  74          HD12      LEU  74  10.018  -8.845 -10.757
    8   HD11  LEU  74          HD13      LEU  74  10.086 -10.531 -10.245
    9   HD21  LEU  74          HD21      LEU  74   6.910 -10.170 -12.113
   10   HD23  LEU  74          HD22      LEU  74   8.636 -10.083 -12.412
   11   HD22  LEU  74          HD23      LEU  74   7.717  -8.604 -12.161

  No H/Q in entry =          11
  In of MODEL   21
    1    H    VAL  75           H        VAL  75   5.401 -11.129  -7.694
    2    HA   VAL  75           HA       VAL  75   5.070  -8.354  -7.155
    3    HB   VAL  75           HB       VAL  75   3.418 -10.793  -6.465
    4   HG11  VAL  75          HG11      VAL  75   2.839  -7.868  -5.916
    5   HG13  VAL  75          HG12      VAL  75   2.992  -9.156  -4.722
    6   HG12  VAL  75          HG13      VAL  75   1.629  -9.148  -5.840
    7   HG21  VAL  75          HG21      VAL  75   3.601  -9.995  -8.868
    8   HG23  VAL  75          HG22      VAL  75   2.856  -8.482  -8.356
    9   HG22  VAL  75          HG23      VAL  75   1.960  -9.993  -8.222

  No H/Q in entry =           9
  In of MODEL   21
    1    H    HIS  76           H        HIS  76   5.560 -11.254  -4.953
    2    HA   HIS  76           HA       HIS  76   5.368  -9.921  -2.494
    3    HB2  HIS  76           HB2      HIS  76   5.560 -12.439  -2.909
    4    HB3  HIS  76           HB3      HIS  76   7.303 -12.177  -3.010
    5    HD1  HIS  76           HD1      HIS  76   5.193 -10.142  -0.671
    6    HD2  HIS  76           HD2      HIS  76   7.795 -13.393  -0.472
    7    HE1  HIS  76           HE1      HIS  76   5.680 -10.520   1.785

  No H/Q in entry =           7
  In of MODEL   21
    1    H    ALA  77           H        ALA  77   8.188 -10.456  -4.588
    2    HA   ALA  77           HA       ALA  77  10.027  -9.148  -2.844
    3    HB3  ALA  77           HB1      ALA  77  11.364  -8.977  -5.089
    4    HB2  ALA  77           HB2      ALA  77  10.078 -10.006  -5.720
    5    HB1  ALA  77           HB3      ALA  77  11.072 -10.565  -4.376

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLN  78           H        GLN  78   8.156  -8.071  -5.678
    2    HA   GLN  78           HA       GLN  78   9.282  -5.475  -5.806
    3    HB2  GLN  78           HB2      GLN  78   7.889  -6.710  -7.574
    4    HB3  GLN  78           HB3      GLN  78   6.475  -6.196  -6.654
    5    HG2  GLN  78           HG2      GLN  78   7.209  -3.843  -6.870
    6    HG3  GLN  78           HG3      GLN  78   8.584  -4.370  -7.837
    7   HE21  GLN  78          HE21      GLN  78   6.663  -2.601  -8.960
    8   HE22  GLN  78          HE22      GLN  78   5.793  -3.431 -10.158

  No H/Q in entry =           8
  In of MODEL   21
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   21
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.156  -7.457  -0.514
    4    HB3  HIS  80           HB3      HIS  80  10.044  -6.566   0.724
    5    HD1  HIS  80           HD1      HIS  80   9.375  -6.946   3.105
    6    HD2  HIS  80           HD2      HIS  80   6.494  -8.346   0.436
    7    HE1  HIS  80           HE1      HIS  80   7.622  -8.142   4.501
    8    HE2  HIS  80           HE2      HIS  80   5.859  -9.000   2.883

  No H/Q in entry =           8
  In of MODEL   21
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   21
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   21
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   21
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   21
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   21
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   21
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   21
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   21
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   21
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.085  -6.376 -21.755
    4    HB3  GLU   5           HB3      GLU   5   0.447  -5.133 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.545  -6.101 -22.271
    6    HG3  GLU   5           HG3      GLU   5   2.453  -4.494 -21.557

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   21
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   21
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   21
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.435 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.204  -0.964 -19.633
    6    HG3  MET   9           HG3      MET   9   3.647  -1.708 -19.993
    7    HE2  MET   9           HE1      MET   9   7.037  -0.464 -22.711
    8    HE1  MET   9           HE2      MET   9   6.652   0.054 -21.072
    9    HE3  MET   9           HE3      MET   9   5.856   0.825 -22.442

  No H/Q in entry =           9
  In of MODEL   21
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   21
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.487   1.693 -15.886
    4   HG12  ILE  12          HG12      ILE  12   2.695   0.252 -14.986
    5   HG13  ILE  12          HG13      ILE  12   4.250  -0.547 -14.895
    6   HG22  ILE  12          HG21      ILE  12   6.295   0.758 -14.470
    7   HG21  ILE  12          HG22      ILE  12   5.624   1.611 -13.080
    8   HG23  ILE  12          HG23      ILE  12   6.260   2.520 -14.449
    9   HD13  ILE  12          HD11      ILE  12   3.183  -0.971 -12.816
   10   HD12  ILE  12          HD12      ILE  12   2.627   0.688 -12.677
   11   HD11  ILE  12          HD13      ILE  12   4.335   0.314 -12.489

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.809 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.832   3.930 -17.792
    5   HG13  ILE  13          HG13      ILE  13   5.629   4.709 -19.358
    6   HG22  ILE  13          HG21      ILE  13   5.789   7.370 -19.080
    7   HG21  ILE  13          HG22      ILE  13   6.406   7.554 -17.438
    8   HG23  ILE  13          HG23      ILE  13   4.759   8.051 -17.822
    9   HD13  ILE  13          HD11      ILE  13   7.637   5.850 -19.201
   10   HD12  ILE  13          HD12      ILE  13   8.038   4.430 -18.237
   11   HD11  ILE  13          HD13      ILE  13   7.570   5.931 -17.441

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   21
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   21
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   21
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   21
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   21
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   21
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   21
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   21
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   21
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   21
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   21
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   21
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   21
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   21
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   21
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   21
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.076   7.011  -8.736
    4    HB3  HIS  52           HB3      HIS  52  -7.504   7.707  -9.500
    5    HD1  HIS  52           HD1      HIS  52  -9.770   6.369  -9.217
    6    HD2  HIS  52           HD2      HIS  52  -6.613   4.964  -6.888
    7    HE1  HIS  52           HE1      HIS  52 -10.789   4.834  -7.487
    8    HE2  HIS  52           HE2      HIS  52  -8.878   3.972  -6.050

  No H/Q in entry =           8
  In of MODEL   21
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   21
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   21
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   21
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.902   3.587 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.407   3.326  -9.755
    5   HG23  THR  56          HG21      THR  56 -13.822   3.353 -10.851
    6   HG22  THR  56          HG22      THR  56 -12.939   2.791  -9.432
    7   HG21  THR  56          HG23      THR  56 -13.294   1.674 -10.746

  No H/Q in entry =           7
  In of MODEL   21
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   21
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.671  -1.964 -10.407
    4   HG12  ILE  59          HG12      ILE  59 -10.918  -4.316  -8.988
    5   HG13  ILE  59          HG13      ILE  59  -9.341  -4.431  -9.753
    6   HG23  ILE  59          HG21      ILE  59 -11.964  -1.152 -10.341
    7   HG22  ILE  59          HG22      ILE  59 -11.481  -1.639  -8.737
    8   HG21  ILE  59          HG23      ILE  59 -12.536  -2.675  -9.684
    9   HD11  ILE  59          HD11      ILE  59  -8.759  -2.288  -8.421
   10   HD13  ILE  59          HD12      ILE  59  -8.824  -3.815  -7.542
   11   HD12  ILE  59          HD13      ILE  59 -10.176  -2.687  -7.449

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   21
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   21
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   21
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   21
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   21
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   21
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   21
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   21
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LEU  74           H        LEU  74  -3.285  -7.039 -13.315
    2    HA   LEU  74           HA       LEU  74  -3.882  -4.384 -12.693
    3    HB2  LEU  74           HB2      LEU  74  -5.513  -6.217 -12.704
    4    HB3  LEU  74           HB3      LEU  74  -4.712  -6.961 -11.326
    5    HG   LEU  74           HG       LEU  74  -5.248  -4.971  -9.958
    6   HD13  LEU  74          HD11      LEU  74  -5.381  -3.170 -11.457
    7   HD12  LEU  74          HD12      LEU  74  -7.075  -3.461 -11.064
    8   HD11  LEU  74          HD13      LEU  74  -6.408  -4.054 -12.585
    9   HD21  LEU  74          HD21      LEU  74  -6.847  -7.042 -10.453
   10   HD23  LEU  74          HD22      LEU  74  -7.835  -5.821 -11.236
   11   HD22  LEU  74          HD23      LEU  74  -7.438  -5.663  -9.529

  No H/Q in entry =          11
  In of MODEL   21
    1    H    VAL  75           H        VAL  75  -2.123  -6.807 -10.926
    2    HA   VAL  75           HA       VAL  75  -1.874  -5.424  -8.455
    3    HB   VAL  75           HB       VAL  75  -0.241  -7.623  -9.730
    4   HG11  VAL  75          HG11      VAL  75   0.069  -6.325  -7.006
    5   HG13  VAL  75          HG12      VAL  75   1.270  -6.370  -8.295
    6   HG12  VAL  75          HG13      VAL  75   0.814  -7.856  -7.464
    7   HG21  VAL  75          HG21      VAL  75  -2.603  -8.076  -8.904
    8   HG23  VAL  75          HG22      VAL  75  -2.050  -7.640  -7.287
    9   HG22  VAL  75          HG23      VAL  75  -1.355  -9.034  -8.110

  No H/Q in entry =           9
  In of MODEL   21
    1    H    HIS  76           H        HIS  76   0.318  -5.616 -11.390
    2    HA   HIS  76           HA       HIS  76   2.429  -4.062 -10.406
    3    HB2  HIS  76           HB2      HIS  76   2.156  -5.358 -12.676
    4    HB3  HIS  76           HB3      HIS  76   1.582  -3.798 -13.267
    5    HD1  HIS  76           HD1      HIS  76   3.479  -2.618 -14.360
    6    HD2  HIS  76           HD2      HIS  76   4.717  -4.635 -10.929
    7    HE1  HIS  76           HE1      HIS  76   5.940  -2.095 -14.070

  No H/Q in entry =           7
  In of MODEL   21
    1    H    ALA  77           H        ALA  77  -0.530  -3.072 -12.114
    2    HA   ALA  77           HA       ALA  77   0.106  -0.293 -12.116
    3    HB2  ALA  77           HB1      ALA  77  -2.488  -0.146 -12.442
    4    HB1  ALA  77           HB2      ALA  77  -2.389  -1.901 -12.583
    5    HB3  ALA  77           HB3      ALA  77  -1.502  -0.876 -13.710

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLN  78           H        GLN  78  -1.835  -2.349  -9.952
    2    HA   GLN  78           HA       GLN  78  -2.779  -0.236  -8.318
    3    HB2  GLN  78           HB2      GLN  78  -3.639  -2.649  -8.472
    4    HB3  GLN  78           HB3      GLN  78  -2.310  -3.071  -7.392
    5    HG2  GLN  78           HG2      GLN  78  -3.133  -1.405  -5.757
    6    HG3  GLN  78           HG3      GLN  78  -4.490  -1.047  -6.823
    7   HE21  GLN  78          HE21      GLN  78  -4.971  -2.058  -4.208
    8   HE22  GLN  78          HE22      GLN  78  -5.583  -3.635  -4.338

  No H/Q in entry =           8
  In of MODEL   21
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   21
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.324   0.880 -10.473
    4    HB3  HIS  80           HB3      HIS  80   2.954   2.518 -10.295
    5    HD1  HIS  80           HD1      HIS  80   5.426   2.820 -10.514
    6    HD2  HIS  80           HD2      HIS  80   4.394  -1.178  -9.944
    7    HE1  HIS  80           HE1      HIS  80   7.570   1.481 -10.764
    8    HE2  HIS  80           HE2      HIS  80   6.952  -0.960 -10.420

  No H/Q in entry =           8
  In of MODEL   21
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   21
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   21
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   21
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   21
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   21
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   21
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   21
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   21
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   21
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   21
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   21
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   21
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   21
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   21
    1    H    PHE   9           H        PHE   9 -21.290   0.648  -3.911
    2    HA   PHE   9           HA       PHE   9 -18.530   1.549  -4.527
    3    HB2  PHE   9           HB2      PHE   9 -20.371   2.464  -2.309
    4    HB3  PHE   9           HB3      PHE   9 -18.663   2.886  -2.428
    5    HD1  PHE   9           HD1      PHE   9 -22.010   3.540  -3.662
    6    HD2  PHE   9           HD2      PHE   9 -17.833   4.178  -4.423
    7    HE1  PHE   9           HE1      PHE   9 -22.577   5.381  -5.222
    8    HE2  PHE   9           HE2      PHE   9 -18.400   6.019  -5.987
    9    HZ   PHE   9           HZ       PHE   9 -20.772   6.620  -6.387

  No H/Q in entry =           9
  In of MODEL   21
    1    H    CYS  10           H        CYS  10 -16.929   0.953  -3.180
    2    HA   CYS  10           HA       CYS  10 -17.193  -0.666  -0.824
    3    HB2  CYS  10           HB2      CYS  10 -16.153  -2.666  -1.571
    4    HB3  CYS  10           HB3      CYS  10 -17.355  -2.303  -2.813

  No H/Q in entry =           4
  In of MODEL   21
    1    H    SER  11           H        SER  11 -14.470  -1.428  -0.354
    2    HA   SER  11           HA       SER  11 -13.426   1.155  -0.003
    3    HB2  SER  11           HB2      SER  11 -12.174  -1.571   0.163
    4    HB3  SER  11           HB3      SER  11 -11.200  -0.130   0.365
    5    HG   SER  11           HG       SER  11 -12.478   0.471   2.088

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA  12           H        ALA  12 -12.205  -1.374  -2.337
    2    HA   ALA  12           HA       ALA  12 -10.814   0.845  -3.684
    3    HB2  ALA  12           HB1      ALA  12  -9.886  -1.593  -4.712
    4    HB1  ALA  12           HB2      ALA  12 -10.073  -1.865  -2.981
    5    HB3  ALA  12           HB3      ALA  12  -9.056  -0.547  -3.560

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLY  13           H        GLY  13 -13.159  -1.705  -4.137
    2    HA3  GLY  13           HA2      GLY  13 -14.854  -1.492  -5.816
    3    HA2  GLY  13           HA3      GLY  13 -13.684  -0.664  -6.837

  No H/Q in entry =           3
  In of MODEL   21
    1    H    MET  14           H        MET  14 -12.736  -3.617  -5.137
    2    HA   MET  14           HA       MET  14 -12.549  -4.901  -7.783
    3    HB2  MET  14           HB2      MET  14 -10.475  -4.626  -6.390
    4    HB3  MET  14           HB3      MET  14 -11.176  -5.760  -5.235
    5    HG2  MET  14           HG2      MET  14 -11.516  -7.277  -7.352
    6    HG3  MET  14           HG3      MET  14 -10.265  -6.255  -8.057
    7    HE1  MET  14           HE1      MET  14  -7.938  -5.975  -7.256
    8    HE3  MET  14           HE2      MET  14  -8.095  -7.428  -8.238
    9    HE2  MET  14           HE3      MET  14  -7.086  -7.453  -6.795

  No H/Q in entry =           9
  In of MODEL   21
    1    H    SER  15           H        SER  15 -12.859  -6.281  -4.527
    2    HA   SER  15           HA       SER  15 -14.070  -8.630  -5.215
    3    HB2  SER  15           HB2      SER  15 -13.429  -7.763  -2.875
    4    HB3  SER  15           HB3      SER  15 -15.072  -7.124  -2.820
    5    HG   SER  15           HG       SER  15 -15.420  -9.485  -3.706

  No H/Q in entry =           5
  In of MODEL   21
    1    H    THR  16           H        THR  16 -15.516  -5.461  -5.467
    2    HA   THR  16           HA       THR  16 -18.197  -6.682  -5.635
    3    HB   THR  16           HB       THR  16 -17.450  -3.763  -5.945
    4    HG1  THR  16           HG1      THR  16 -16.858  -4.439  -3.903
    5   HG23  THR  16          HG21      THR  16 -19.617  -4.055  -6.799
    6   HG22  THR  16          HG22      THR  16 -19.914  -3.626  -5.113
    7   HG21  THR  16          HG23      THR  16 -20.012  -5.312  -5.625

  No H/Q in entry =           7
  In of MODEL   21
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   21
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   21
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   21
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   21
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   21
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   21
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   21
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   21
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   21
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   21
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   21
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   21
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   21
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   21
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   21
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   21
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   21
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   21
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   21
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   21
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   21
    1    HA   PRO  58           HA       PRO  58 -23.314  -4.439   3.145
    2    HB2  PRO  58           HB2      PRO  58 -22.050  -6.858   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.560  -6.670   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.791  -7.077   1.796
    5    HG3  PRO  58           HG3      PRO  58 -22.325  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.016  -5.616  -0.005
    7    HD3  PRO  58           HD3      PRO  58 -22.790  -5.739  -0.010

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   21
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   21
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   21
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   21
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   21
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   21
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   21
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   21
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   21
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   21
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   21
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   21
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   21
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   21
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   21
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   21
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   21
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   21
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   21
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   21
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   21
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   21
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   21
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   21
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   21
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   21
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   21
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   21
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   21
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   21
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   22
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.288 -14.283  -2.729
    4    HB3  GLU   5           HB3      GLU   5 -14.695 -13.928  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.574 -11.559  -2.354
    6    HG3  GLU   5           HG3      GLU   5 -13.134 -11.875  -3.322

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   22
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   22
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   22
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.711  -8.426   1.551
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.705   1.335
    5    HG2  MET   9           HG2      MET   9 -14.273  -6.809  -0.976
    6    HG3  MET   9           HG3      MET   9 -13.804  -8.497  -0.780
    7    HE2  MET   9           HE1      MET   9 -17.881  -6.582  -1.153
    8    HE1  MET   9           HE2      MET   9 -16.323  -5.865  -0.759
    9    HE3  MET   9           HE3      MET   9 -17.275  -6.629   0.504

  No H/Q in entry =           9
  In of MODEL   22
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   22
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.933  -4.427   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.146  -6.135   0.940
    5   HG13  ILE  12          HG13      ILE  12  -9.672  -5.403  -0.563
    6   HG22  ILE  12          HG21      ILE  12  -9.809  -3.039  -0.668
    7   HG21  ILE  12          HG22      ILE  12  -8.953  -2.278   0.674
    8   HG23  ILE  12          HG23      ILE  12 -10.720  -2.259   0.618
    9   HD11  ILE  12          HD11      ILE  12  -7.665  -3.864  -0.365
   10   HD13  ILE  12          HD12      ILE  12  -7.281  -5.558  -0.614
   11   HD12  ILE  12          HD13      ILE  12  -7.151  -4.853   0.991

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.494  -3.065   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.922  -3.525   3.576
    6   HG23  ILE  13          HG21      ILE  13 -13.769  -1.883   6.744
    7   HG22  ILE  13          HG22      ILE  13 -15.161  -1.840   5.661
    8   HG21  ILE  13          HG23      ILE  13 -13.861  -0.662   5.473
    9   HD13  ILE  13          HD11      ILE  13 -15.798  -1.371   3.556
   10   HD12  ILE  13          HD12      ILE  13 -14.947  -1.381   2.016
   11   HD11  ILE  13          HD13      ILE  13 -14.209  -0.621   3.424

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   22
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   22
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   22
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   22
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   22
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   22
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   22
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   22
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   22
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   22
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   22
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   22
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   22
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   22
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   22
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   22
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.946  -6.668  10.567
    4    HB3  HIS  52           HB3      HIS  52  -1.109  -7.751  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.203 -10.100  11.732
    6    HD2  HIS  52           HD2      HIS  52   1.308  -7.151   9.002
    7    HE1  HIS  52           HE1      HIS  52   2.426 -10.824  10.758
    8    HE2  HIS  52           HE2      HIS  52   3.115  -9.034   9.092

  No H/Q in entry =           8
  In of MODEL   22
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   22
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   22
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   22
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.097 -14.214  10.983
    4    HG1  THR  56           HG1      THR  56  -0.321 -12.054   9.874
    5   HG23  THR  56          HG21      THR  56   0.892 -15.180  11.673
    6   HG22  THR  56          HG22      THR  56   1.848 -14.287  10.491
    7   HG21  THR  56          HG23      THR  56   0.920 -15.698   9.988

  No H/Q in entry =           7
  In of MODEL   22
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   22
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.631   4.899
    4   HG12  ILE  59          HG12      ILE  59   2.376 -16.281   3.445
    5   HG13  ILE  59          HG13      ILE  59   1.157 -15.324   2.617
    6   HG21  ILE  59          HG21      ILE  59   1.100 -15.965   6.813
    7   HG23  ILE  59          HG22      ILE  59   2.401 -15.072   6.072
    8   HG22  ILE  59          HG23      ILE  59   2.244 -16.795   5.773
    9   HD12  ILE  59          HD11      ILE  59   3.403 -14.371   4.377
   10   HD11  ILE  59          HD12      ILE  59   1.984 -13.362   4.095
   11   HD13  ILE  59          HD13      ILE  59   2.995 -13.859   2.739

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   22
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   22
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   22
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   22
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   22
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   22
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   22
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   22
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LEU  74           H        LEU  74  -4.297 -13.685  -2.344
    2    HA   LEU  74           HA       LEU  74  -3.894 -12.583   0.166
    3    HB2  LEU  74           HB2      LEU  74  -2.994 -14.729  -0.490
    4    HB3  LEU  74           HB3      LEU  74  -1.987 -13.978  -1.722
    5    HG   LEU  74           HG       LEU  74  -0.735 -12.788   0.045
    6   HD11  LEU  74          HD11      LEU  74  -2.735 -14.218   1.785
    7   HD13  LEU  74          HD12      LEU  74  -2.255 -12.523   1.826
    8   HD12  LEU  74          HD13      LEU  74  -1.156 -13.767   2.426
    9   HD23  LEU  74          HD21      LEU  74  -0.747 -15.678   0.884
   10   HD22  LEU  74          HD22      LEU  74   0.613 -14.631   0.521
   11   HD21  LEU  74          HD23      LEU  74  -0.359 -15.288  -0.790

  No H/Q in entry =          11
  In of MODEL   22
    1    H    VAL  75           H        VAL  75  -2.615 -11.619  -2.920
    2    HA   VAL  75           HA       VAL  75  -0.669  -9.788  -1.883
    3    HB   VAL  75           HB       VAL  75  -1.954  -9.929  -4.630
    4   HG13  VAL  75          HG11      VAL  75  -0.954  -7.855  -4.689
    5   HG12  VAL  75          HG12      VAL  75   0.450  -8.845  -5.083
    6   HG11  VAL  75          HG13      VAL  75   0.216  -8.264  -3.436
    7   HG22  VAL  75          HG21      VAL  75   0.077 -11.180  -5.266
    8   HG21  VAL  75          HG22      VAL  75  -0.770 -12.016  -3.965
    9   HG23  VAL  75          HG23      VAL  75   0.673 -11.069  -3.609

  No H/Q in entry =           9
  In of MODEL   22
    1    H    HIS  76           H        HIS  76  -4.266  -9.362  -3.243
    2    HA   HIS  76           HA       HIS  76  -4.580  -6.588  -3.149
    3    HB2  HIS  76           HB2      HIS  76  -6.308  -8.155  -4.048
    4    HB3  HIS  76           HB3      HIS  76  -6.700  -8.630  -2.402
    5    HD1  HIS  76           HD1      HIS  76  -5.934  -5.010  -2.850
    6    HD2  HIS  76           HD2      HIS  76  -9.357  -7.417  -2.906
    7    HE1  HIS  76           HE1      HIS  76  -7.932  -3.437  -2.718

  No H/Q in entry =           7
  In of MODEL   22
    1    H    ALA  77           H        ALA  77  -4.688  -8.970  -0.586
    2    HA   ALA  77           HA       ALA  77  -5.516  -7.063   1.436
    3    HB1  ALA  77           HB1      ALA  77  -4.722  -9.958   1.440
    4    HB3  ALA  77           HB2      ALA  77  -6.235  -9.216   1.957
    5    HB2  ALA  77           HB3      ALA  77  -4.793  -9.066   2.960

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLN  78           H        GLN  78  -2.477  -8.756   0.555
    2    HA   GLN  78           HA       GLN  78  -0.934  -7.670   2.658
    3    HB2  GLN  78           HB2      GLN  78  -0.358  -9.632   1.126
    4    HB3  GLN  78           HB3      GLN  78   0.124  -8.428  -0.069
    5    HG2  GLN  78           HG2      GLN  78   1.714  -7.465   1.555
    6    HG3  GLN  78           HG3      GLN  78   1.251  -8.690   2.733
    7   HE21  GLN  78          HE21      GLN  78   3.948  -8.548   1.864
    8   HE22  GLN  78          HE22      GLN  78   4.290  -9.909   0.910

  No H/Q in entry =           8
  In of MODEL   22
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   22
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.188
    4    HB3  HIS  80           HB3      HIS  80  -5.392  -2.792   2.196
    5    HD1  HIS  80           HD1      HIS  80  -6.748  -0.987   1.148
    6    HD2  HIS  80           HD2      HIS  80  -4.998  -3.458  -1.719
    7    HE1  HIS  80           HE1      HIS  80  -7.611  -0.196  -1.106
    8    HE2  HIS  80           HE2      HIS  80  -6.550  -1.697  -2.862

  No H/Q in entry =           8
  In of MODEL   22
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   22
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   22
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   22
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   22
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   22
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   22
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   22
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   22
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   22
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.424 -20.432  -4.409
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.883  -3.474
    5    HG2  GLU   5           HG2      GLU   5  10.897 -19.849  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.487 -19.328  -2.391

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   22
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   22
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   22
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.039 -16.705   0.859
    4    HB3  MET   9           HB3      MET   9  13.726 -16.163   2.508
    5    HG2  MET   9           HG2      MET   9  11.340 -16.596   2.240
    6    HG3  MET   9           HG3      MET   9  11.584 -17.038   0.550
    7    HE2  MET   9           HE1      MET   9  12.635 -19.275   4.353
    8    HE1  MET   9           HE2      MET   9  12.216 -17.580   4.119
    9    HE3  MET   9           HE3      MET   9  13.864 -18.123   3.818

  No H/Q in entry =           9
  In of MODEL   22
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   22
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.956   2.296
    4   HG12  ILE  12          HG12      ILE  12  10.824 -11.511  -0.021
    5   HG13  ILE  12          HG13      ILE  12   9.644 -12.259   1.036
    6   HG22  ILE  12          HG21      ILE  12   9.337 -11.271   3.241
    7   HG21  ILE  12          HG22      ILE  12  10.032  -9.650   3.259
    8   HG23  ILE  12          HG23      ILE  12  10.794 -10.947   4.177
    9   HD11  ILE  12          HD11      ILE  12   8.757  -9.904   1.450
   10   HD13  ILE  12          HD12      ILE  12   8.512 -10.544  -0.165
   11   HD12  ILE  12          HD13      ILE  12   9.805  -9.392   0.136

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.102 -11.636   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.812 -12.621   4.662
    5   HG13  ILE  13          HG13      ILE  13  15.290 -13.528   4.962
    6   HG23  ILE  13          HG21      ILE  13  17.418 -10.489   5.406
    7   HG22  ILE  13          HG22      ILE  13  17.005 -11.967   6.275
    8   HG21  ILE  13          HG23      ILE  13  16.137 -10.470   6.618
    9   HD13  ILE  13          HD11      ILE  13  15.254 -13.096   7.237
   10   HD12  ILE  13          HD12      ILE  13  13.523 -13.066   6.908
   11   HD11  ILE  13          HD13      ILE  13  14.423 -11.555   7.034

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   22
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   22
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   22
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   22
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   22
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   22
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   22
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   22
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   22
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   22
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   22
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   22
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   22
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   22
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   22
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   22
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.317  -1.676  -5.684
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.657
    5    HD1  HIS  52           HD1      HIS  52  17.391  -2.074  -9.310
    6    HD2  HIS  52           HD2      HIS  52  14.057  -0.887  -7.107
    7    HE1  HIS  52           HE1      HIS  52  15.712  -1.178 -10.980
    8    HE2  HIS  52           HE2      HIS  52  13.673  -0.449  -9.653

  No H/Q in entry =           8
  In of MODEL   22
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   22
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   22
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   22
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.061
    4    HG1  THR  56           HG1      THR  56  16.212  -4.243 -10.509
    5   HG23  THR  56          HG21      THR  56  17.772  -4.161 -13.981
    6   HG22  THR  56          HG22      THR  56  16.194  -3.479 -13.594
    7   HG21  THR  56          HG23      THR  56  16.310  -5.104 -14.262

  No H/Q in entry =           7
  In of MODEL   22
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   22
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.825  -7.166 -12.523
    4   HG12  ILE  59          HG12      ILE  59   9.903  -7.052 -14.857
    5   HG13  ILE  59          HG13      ILE  59   9.517  -7.829 -13.330
    6   HG21  ILE  59          HG21      ILE  59  13.417  -6.437 -14.262
    7   HG23  ILE  59          HG22      ILE  59  12.094  -5.313 -14.098
    8   HG22  ILE  59          HG23      ILE  59  12.130  -6.427 -15.455
    9   HD12  ILE  59          HD11      ILE  59  10.051  -4.918 -13.860
   10   HD11  ILE  59          HD12      ILE  59  10.231  -5.591 -12.240
   11   HD13  ILE  59          HD13      ILE  59   8.667  -5.652 -13.052

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   22
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   22
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   22
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   22
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   22
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   22
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   22
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   22
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LEU  74           H        LEU  74   7.013 -13.176  -8.613
    2    HA   LEU  74           HA       LEU  74   8.961 -11.255  -8.146
    3    HB2  LEU  74           HB2      LEU  74   8.318 -11.960 -10.369
    4    HB3  LEU  74           HB3      LEU  74   6.686 -11.342 -10.138
    5    HG   LEU  74           HG       LEU  74   7.596  -9.049  -9.960
    6   HD11  LEU  74          HD11      LEU  74  10.189 -10.546 -10.308
    7   HD13  LEU  74          HD12      LEU  74   9.785  -9.307  -9.121
    8   HD12  LEU  74          HD13      LEU  74  10.054  -8.860 -10.805
    9   HD23  LEU  74          HD21      LEU  74   8.773 -10.186 -12.487
   10   HD22  LEU  74          HD22      LEU  74   7.744  -8.782 -12.273
   11   HD21  LEU  74          HD23      LEU  74   7.049 -10.396 -12.189

  No H/Q in entry =          11
  In of MODEL   22
    1    H    VAL  75           H        VAL  75   5.487 -11.032  -7.868
    2    HA   VAL  75           HA       VAL  75   5.369  -8.232  -7.339
    3    HB   VAL  75           HB       VAL  75   3.435 -10.452  -6.604
    4   HG13  VAL  75          HG11      VAL  75   2.713  -8.717  -5.250
    5   HG12  VAL  75          HG12      VAL  75   1.868  -8.307  -6.742
    6   HG11  VAL  75          HG13      VAL  75   3.361  -7.473  -6.318
    7   HG22  VAL  75          HG21      VAL  75   2.210  -9.701  -8.620
    8   HG21  VAL  75          HG22      VAL  75   3.839 -10.222  -9.045
    9   HG23  VAL  75          HG23      VAL  75   3.465  -8.504  -8.938

  No H/Q in entry =           9
  In of MODEL   22
    1    H    HIS  76           H        HIS  76   5.554 -11.182  -5.169
    2    HA   HIS  76           HA       HIS  76   5.265  -9.926  -2.691
    3    HB2  HIS  76           HB2      HIS  76   5.470 -12.435  -3.193
    4    HB3  HIS  76           HB3      HIS  76   7.216 -12.177  -3.154
    5    HD1  HIS  76           HD1      HIS  76   7.969 -13.001  -0.917
    6    HD2  HIS  76           HD2      HIS  76   4.491 -10.721  -0.624
    7    HE1  HIS  76           HE1      HIS  76   7.471 -12.768   1.555

  No H/Q in entry =           7
  In of MODEL   22
    1    H    ALA  77           H        ALA  77   8.183 -10.435  -4.648
    2    HA   ALA  77           HA       ALA  77   9.946  -9.164  -2.791
    3    HB2  ALA  77           HB1      ALA  77  10.130 -10.029  -5.654
    4    HB1  ALA  77           HB2      ALA  77  11.081 -10.550  -4.264
    5    HB3  ALA  77           HB3      ALA  77  11.379  -8.972  -4.992

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLN  78           H        GLN  78   8.176  -8.062  -5.672
    2    HA   GLN  78           HA       GLN  78   9.313  -5.470  -5.761
    3    HB2  GLN  78           HB2      GLN  78   7.961  -6.676  -7.571
    4    HB3  GLN  78           HB3      GLN  78   6.524  -6.191  -6.671
    5    HG2  GLN  78           HG2      GLN  78   7.214  -3.831  -6.845
    6    HG3  GLN  78           HG3      GLN  78   8.640  -4.316  -7.761
    7   HE21  GLN  78          HE21      GLN  78   6.748  -2.570  -8.950
    8   HE22  GLN  78          HE22      GLN  78   5.938  -3.399 -10.190

  No H/Q in entry =           8
  In of MODEL   22
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   22
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.183  -7.445  -0.520
    4    HB3  HIS  80           HB3      HIS  80  10.032  -6.563   0.751
    5    HD1  HIS  80           HD1      HIS  80   9.386  -7.115   3.088
    6    HD2  HIS  80           HD2      HIS  80   6.428  -8.235   0.372
    7    HE1  HIS  80           HE1      HIS  80   7.590  -8.308   4.431
    8    HE2  HIS  80           HE2      HIS  80   5.781  -8.996   2.785

  No H/Q in entry =           8
  In of MODEL   22
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   22
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   22
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   22
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   22
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   22
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   22
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   22
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   22
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   22
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.102  -6.381 -21.735
    4    HB3  GLU   5           HB3      GLU   5   0.424  -5.146 -22.953
    5    HG2  GLU   5           HG2      GLU   5   2.485  -4.502 -21.789
    6    HG3  GLU   5           HG3      GLU   5   2.160  -5.684 -20.524

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   22
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   22
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   22
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.437 -21.000
    4    HB3  MET   9           HB3      MET   9   4.427   1.168 -20.551
    5    HG2  MET   9           HG2      MET   9   5.214  -0.961 -19.649
    6    HG3  MET   9           HG3      MET   9   3.649  -1.706 -19.974
    7    HE2  MET   9           HE1      MET   9   6.966  -0.471 -22.809
    8    HE1  MET   9           HE2      MET   9   6.687  -0.018 -21.130
    9    HE3  MET   9           HE3      MET   9   5.820   0.817 -22.416

  No H/Q in entry =           9
  In of MODEL   22
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   22
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.462   1.678 -15.889
    4   HG12  ILE  12          HG12      ILE  12   2.662   0.281 -14.828
    5   HG13  ILE  12          HG13      ILE  12   4.203  -0.541 -14.958
    6   HG22  ILE  12          HG21      ILE  12   6.170   0.653 -14.180
    7   HG21  ILE  12          HG22      ILE  12   5.680   2.015 -13.172
    8   HG23  ILE  12          HG23      ILE  12   6.382   2.303 -14.762
    9   HD11  ILE  12          HD11      ILE  12   4.605   0.156 -12.543
   10   HD13  ILE  12          HD12      ILE  12   3.333  -1.026 -12.796
   11   HD12  ILE  12          HD13      ILE  12   2.923   0.661 -12.515

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.810 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.832   3.930 -17.790
    5   HG13  ILE  13          HG13      ILE  13   5.627   4.707 -19.357
    6   HG23  ILE  13          HG21      ILE  13   4.726   8.036 -17.930
    7   HG22  ILE  13          HG22      ILE  13   5.896   7.338 -19.050
    8   HG21  ILE  13          HG23      ILE  13   6.337   7.598 -17.363
    9   HD13  ILE  13          HD11      ILE  13   7.633   5.856 -19.202
   10   HD12  ILE  13          HD12      ILE  13   8.037   4.430 -18.248
   11   HD11  ILE  13          HD13      ILE  13   7.572   5.927 -17.442

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   22
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   22
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   22
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   22
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   22
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   22
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   22
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   22
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   22
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   22
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   22
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   22
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   22
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   22
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   22
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   22
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.039  -8.752
    4    HB3  HIS  52           HB3      HIS  52  -7.533   7.691  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.722   6.122  -9.297
    6    HD2  HIS  52           HD2      HIS  52  -6.561   5.162  -6.756
    7    HE1  HIS  52           HE1      HIS  52 -10.678   4.616  -7.506
    8    HE2  HIS  52           HE2      HIS  52  -8.766   4.025  -5.941

  No H/Q in entry =           8
  In of MODEL   22
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   22
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   22
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   22
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.895   3.591 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.027   3.646 -10.388
    5   HG23  THR  56          HG21      THR  56 -13.821   3.362 -10.855
    6   HG22  THR  56          HG22      THR  56 -12.947   2.775  -9.440
    7   HG21  THR  56          HG23      THR  56 -13.305   1.678 -10.772

  No H/Q in entry =           7
  In of MODEL   22
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   22
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.645  -1.992 -10.399
    4   HG12  ILE  59          HG12      ILE  59 -10.984  -4.331  -9.031
    5   HG13  ILE  59          HG13      ILE  59  -9.365  -4.430  -9.703
    6   HG23  ILE  59          HG21      ILE  59 -11.819  -1.022 -10.279
    7   HG22  ILE  59          HG22      ILE  59 -11.530  -1.731  -8.711
    8   HG21  ILE  59          HG23      ILE  59 -12.577  -2.548  -9.860
    9   HD12  ILE  59          HD11      ILE  59 -10.343  -2.819  -7.380
   10   HD11  ILE  59          HD12      ILE  59  -8.975  -2.222  -8.317
   11   HD13  ILE  59          HD13      ILE  59  -8.880  -3.794  -7.524

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   22
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   22
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   22
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   22
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   22
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   22
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   22
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   22
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LEU  74           H        LEU  74  -3.311  -7.011 -13.426
    2    HA   LEU  74           HA       LEU  74  -3.948  -4.378 -12.842
    3    HB2  LEU  74           HB2      LEU  74  -5.597  -6.153 -12.883
    4    HB3  LEU  74           HB3      LEU  74  -4.810  -6.975 -11.542
    5    HG   LEU  74           HG       LEU  74  -5.342  -5.057 -10.073
    6   HD11  LEU  74          HD11      LEU  74  -6.494  -4.000 -12.648
    7   HD13  LEU  74          HD12      LEU  74  -5.443  -3.182 -11.493
    8   HD12  LEU  74          HD13      LEU  74  -7.138  -3.466 -11.097
    9   HD23  LEU  74          HD21      LEU  74  -7.942  -5.803 -11.398
   10   HD22  LEU  74          HD22      LEU  74  -7.530  -5.777  -9.692
   11   HD21  LEU  74          HD23      LEU  74  -6.944  -7.084 -10.713

  No H/Q in entry =          11
  In of MODEL   22
    1    H    VAL  75           H        VAL  75  -2.321  -6.763 -10.885
    2    HA   VAL  75           HA       VAL  75  -2.193  -5.217  -8.493
    3    HB   VAL  75           HB       VAL  75  -0.426  -7.491  -9.432
    4   HG13  VAL  75          HG11      VAL  75   0.825  -6.566  -7.710
    5   HG12  VAL  75          HG12      VAL  75  -0.235  -7.631  -6.787
    6   HG11  VAL  75          HG13      VAL  75  -0.594  -5.908  -6.895
    7   HG22  VAL  75          HG21      VAL  75  -1.871  -8.873  -7.971
    8   HG21  VAL  75          HG22      VAL  75  -2.834  -8.086  -9.222
    9   HG23  VAL  75          HG23      VAL  75  -2.834  -7.449  -7.579

  No H/Q in entry =           9
  In of MODEL   22
    1    H    HIS  76           H        HIS  76   0.116  -5.663 -11.298
    2    HA   HIS  76           HA       HIS  76   2.282  -4.202 -10.309
    3    HB2  HIS  76           HB2      HIS  76   2.126  -5.530 -12.498
    4    HB3  HIS  76           HB3      HIS  76   1.412  -4.074 -13.192
    5    HD1  HIS  76           HD1      HIS  76   3.235  -2.959 -14.483
    6    HD2  HIS  76           HD2      HIS  76   4.590  -4.331 -10.788
    7    HE1  HIS  76           HE1      HIS  76   5.633  -2.175 -14.264

  No H/Q in entry =           7
  In of MODEL   22
    1    H    ALA  77           H        ALA  77  -0.585  -3.084 -12.081
    2    HA   ALA  77           HA       ALA  77   0.187  -0.334 -12.089
    3    HB2  ALA  77           HB1      ALA  77  -2.346  -1.843 -12.636
    4    HB1  ALA  77           HB2      ALA  77  -1.406  -0.811 -13.712
    5    HB3  ALA  77           HB3      ALA  77  -2.411  -0.089 -12.457

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLN  78           H        GLN  78  -1.838  -2.323  -9.955
    2    HA   GLN  78           HA       GLN  78  -2.758  -0.191  -8.327
    3    HB2  GLN  78           HB2      GLN  78  -3.667  -2.581  -8.480
    4    HB3  GLN  78           HB3      GLN  78  -2.342  -3.038  -7.410
    5    HG2  GLN  78           HG2      GLN  78  -3.120  -1.385  -5.752
    6    HG3  GLN  78           HG3      GLN  78  -4.460  -0.956  -6.813
    7   HE21  GLN  78          HE21      GLN  78  -4.991  -1.991  -4.220
    8   HE22  GLN  78          HE22      GLN  78  -5.660  -3.542  -4.378

  No H/Q in entry =           8
  In of MODEL   22
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   22
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.306   0.904 -10.476
    4    HB3  HIS  80           HB3      HIS  80   2.983   2.522 -10.288
    5    HD1  HIS  80           HD1      HIS  80   5.430   2.735 -10.665
    6    HD2  HIS  80           HD2      HIS  80   4.348  -1.198  -9.806
    7    HE1  HIS  80           HE1      HIS  80   7.543   1.342 -10.885
    8    HE2  HIS  80           HE2      HIS  80   6.894  -1.059 -10.365

  No H/Q in entry =           8
  In of MODEL   22
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   22
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   22
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   22
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   22
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   22
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   22
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   22
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   22
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   22
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   22
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   22
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   22
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   22
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   22
    1    H    PHE   9           H        PHE   9 -21.256   0.642  -3.894
    2    HA   PHE   9           HA       PHE   9 -18.510   1.540  -4.573
    3    HB2  PHE   9           HB2      PHE   9 -20.302   2.458  -2.317
    4    HB3  PHE   9           HB3      PHE   9 -18.594   2.872  -2.465
    5    HD1  PHE   9           HD1      PHE   9 -21.957   3.567  -3.612
    6    HD2  PHE   9           HD2      PHE   9 -17.796   4.140  -4.500
    7    HE1  PHE   9           HE1      PHE   9 -22.543   5.413  -5.159
    8    HE2  PHE   9           HE2      PHE   9 -18.381   5.986  -6.051
    9    HZ   PHE   9           HZ       PHE   9 -20.755   6.623  -6.380

  No H/Q in entry =           9
  In of MODEL   22
    1    H    CYS  10           H        CYS  10 -16.873   0.948  -3.263
    2    HA   CYS  10           HA       CYS  10 -17.129  -0.760  -0.945
    3    HB2  CYS  10           HB2      CYS  10 -15.986  -2.659  -1.746
    4    HB3  CYS  10           HB3      CYS  10 -17.093  -2.267  -3.066

  No H/Q in entry =           4
  In of MODEL   22
    1    H    SER  11           H        SER  11 -14.302  -1.398  -0.503
    2    HA   SER  11           HA       SER  11 -13.493   1.337  -0.120
    3    HB2  SER  11           HB2      SER  11 -12.525  -1.305   0.746
    4    HB3  SER  11           HB3      SER  11 -11.269  -0.106   0.526
    5    HG   SER  11           HG       SER  11 -11.926   0.782   2.301

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA  12           H        ALA  12 -12.700  -1.084  -2.636
    2    HA   ALA  12           HA       ALA  12 -10.841   0.947  -3.685
    3    HB1  ALA  12           HB1      ALA  12 -10.172  -1.734  -2.871
    4    HB3  ALA  12           HB2      ALA  12  -9.112  -0.470  -3.493
    5    HB2  ALA  12           HB3      ALA  12  -9.932  -1.560  -4.610

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLY  13           H        GLY  13 -12.885  -1.864  -4.325
    2    HA3  GLY  13           HA2      GLY  13 -14.646  -1.524  -6.005
    3    HA2  GLY  13           HA3      GLY  13 -13.418  -0.772  -7.017

  No H/Q in entry =           3
  In of MODEL   22
    1    H    MET  14           H        MET  14 -12.643  -3.756  -5.201
    2    HA   MET  14           HA       MET  14 -12.505  -5.060  -7.845
    3    HB2  MET  14           HB2      MET  14 -10.424  -4.821  -6.383
    4    HB3  MET  14           HB3      MET  14 -11.153  -6.044  -5.341
    5    HG2  MET  14           HG2      MET  14 -11.470  -7.362  -7.597
    6    HG3  MET  14           HG3      MET  14 -10.186  -6.303  -8.174
    7    HE2  MET  14           HE1      MET  14  -7.108  -7.097  -6.407
    8    HE1  MET  14           HE2      MET  14  -8.115  -5.921  -7.246
    9    HE3  MET  14           HE3      MET  14  -7.657  -7.416  -8.056

  No H/Q in entry =           9
  In of MODEL   22
    1    H    SER  15           H        SER  15 -12.835  -6.358  -4.568
    2    HA   SER  15           HA       SER  15 -14.114  -8.689  -5.181
    3    HB2  SER  15           HB2      SER  15 -15.121  -7.138  -2.829
    4    HB3  SER  15           HB3      SER  15 -14.764  -8.860  -2.967
    5    HG   SER  15           HG       SER  15 -12.590  -8.381  -2.997

  No H/Q in entry =           5
  In of MODEL   22
    1    H    THR  16           H        THR  16 -15.520  -5.474  -5.453
    2    HA   THR  16           HA       THR  16 -18.205  -6.683  -5.638
    3    HB   THR  16           HB       THR  16 -17.448  -3.768  -5.947
    4    HG1  THR  16           HG1      THR  16 -16.860  -4.557  -3.898
    5   HG21  THR  16          HG21      THR  16 -20.011  -5.313  -5.641
    6   HG23  THR  16          HG22      THR  16 -19.614  -4.040  -6.797
    7   HG22  THR  16          HG23      THR  16 -19.915  -3.634  -5.107

  No H/Q in entry =           7
  In of MODEL   22
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   22
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   22
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   22
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   22
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   22
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   22
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   22
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   22
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   22
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   22
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   22
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   22
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   22
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   22
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   22
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   22
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   22
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   22
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   22
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   22
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   22
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.051  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.561  -6.668   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.018  -5.615  -0.007
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.740  -0.008

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   22
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   22
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   22
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   22
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   22
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   22
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   22
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   22
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   22
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   22
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   22
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   22
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   22
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   22
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   22
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   22
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   22
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   22
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   22
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   22
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   22
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   22
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   22
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   22
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   22
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   22
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   22
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   22
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   22
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   22
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   23
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.283 -14.274  -2.736
    4    HB3  GLU   5           HB3      GLU   5 -14.690 -13.939  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.601 -11.568  -2.339
    6    HG3  GLU   5           HG3      GLU   5 -13.153 -11.855  -3.304

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   23
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   23
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   23
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.708  -8.430   1.545
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.708   1.342
    5    HG2  MET   9           HG2      MET   9 -14.286  -6.791  -0.971
    6    HG3  MET   9           HG3      MET   9 -13.799  -8.476  -0.789
    7    HE1  MET   9           HE1      MET   9 -16.326  -5.880  -0.592
    8    HE3  MET   9           HE2      MET   9 -17.365  -6.738   0.541
    9    HE2  MET   9           HE3      MET   9 -17.861  -6.565  -1.136

  No H/Q in entry =           9
  In of MODEL   23
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   23
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.934  -4.423   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.161  -6.141   0.939
    5   HG13  ILE  12          HG13      ILE  12  -9.670  -5.399  -0.565
    6   HG23  ILE  12          HG21      ILE  12 -10.503  -2.114   0.836
    7   HG22  ILE  12          HG22      ILE  12 -10.115  -3.002  -0.639
    8   HG21  ILE  12          HG23      ILE  12  -8.825  -2.455   0.440
    9   HD12  ILE  12          HD11      ILE  12  -7.130  -4.873   0.990
   10   HD11  ILE  12          HD12      ILE  12  -7.674  -3.862  -0.337
   11   HD13  ILE  12          HD13      ILE  12  -7.298  -5.557  -0.619

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.494  -3.068   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.923  -3.523   3.577
    6   HG23  ILE  13          HG21      ILE  13 -13.680  -1.794   6.724
    7   HG22  ILE  13          HG22      ILE  13 -15.148  -1.924   5.754
    8   HG21  ILE  13          HG23      ILE  13 -13.964  -0.665   5.399
    9   HD13  ILE  13          HD11      ILE  13 -15.796  -1.369   3.549
   10   HD12  ILE  13          HD12      ILE  13 -14.939  -1.381   2.013
   11   HD11  ILE  13          HD13      ILE  13 -14.205  -0.621   3.423

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   23
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   23
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   23
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   23
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   23
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   23
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   23
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   23
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   23
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   23
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   23
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   23
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   23
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   23
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   23
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   23
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.956  -6.664  10.579
    4    HB3  HIS  52           HB3      HIS  52  -1.101  -7.766  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.197 -10.131  11.648
    6    HD2  HIS  52           HD2      HIS  52   1.319  -7.081   9.037
    7    HE1  HIS  52           HE1      HIS  52   2.426 -10.818  10.660
    8    HE2  HIS  52           HE2      HIS  52   3.125  -8.968   9.067

  No H/Q in entry =           8
  In of MODEL   23
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   23
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   23
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   23
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.218  10.983
    4    HG1  THR  56           HG1      THR  56  -0.261 -12.064   9.834
    5   HG23  THR  56          HG21      THR  56   0.899 -15.177  11.670
    6   HG22  THR  56          HG22      THR  56   1.849 -14.278  10.489
    7   HG21  THR  56          HG23      THR  56   0.928 -15.692   9.985

  No H/Q in entry =           7
  In of MODEL   23
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   23
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.636   4.920
    4   HG12  ILE  59          HG12      ILE  59   2.379 -16.243   3.428
    5   HG13  ILE  59          HG13      ILE  59   1.125 -15.321   2.613
    6   HG22  ILE  59          HG21      ILE  59   2.285 -16.770   5.708
    7   HG21  ILE  59          HG22      ILE  59   1.106 -16.076   6.789
    8   HG23  ILE  59          HG23      ILE  59   2.380 -15.068   6.121
    9   HD13  ILE  59          HD11      ILE  59   2.977 -13.843   2.718
   10   HD12  ILE  59          HD12      ILE  59   3.329 -14.286   4.389
   11   HD11  ILE  59          HD13      ILE  59   1.905 -13.316   4.015

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   23
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   23
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   23
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   23
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   23
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   23
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   23
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   23
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LEU  74           H        LEU  74  -4.199 -13.638  -2.382
    2    HA   LEU  74           HA       LEU  74  -3.786 -12.449   0.112
    3    HB2  LEU  74           HB2      LEU  74  -2.873 -14.611  -0.511
    4    HB3  LEU  74           HB3      LEU  74  -1.887 -13.870  -1.766
    5    HG   LEU  74           HG       LEU  74  -0.655 -12.610  -0.028
    6   HD11  LEU  74          HD11      LEU  74  -2.582 -14.089   1.762
    7   HD13  LEU  74          HD12      LEU  74  -2.205 -12.368   1.745
    8   HD12  LEU  74          HD13      LEU  74  -1.028 -13.522   2.371
    9   HD23  LEU  74          HD21      LEU  74  -0.634 -15.519   0.792
   10   HD22  LEU  74          HD22      LEU  74   0.721 -14.431   0.550
   11   HD21  LEU  74          HD23      LEU  74  -0.154 -15.061  -0.840

  No H/Q in entry =          11
  In of MODEL   23
    1    H    VAL  75           H        VAL  75  -2.670 -11.583  -3.049
    2    HA   VAL  75           HA       VAL  75  -0.692  -9.678  -2.266
    3    HB   VAL  75           HB       VAL  75  -2.240 -10.096  -4.835
    4   HG13  VAL  75          HG11      VAL  75  -1.680  -7.740  -4.720
    5   HG12  VAL  75          HG12      VAL  75  -0.565  -8.520  -5.841
    6   HG11  VAL  75          HG13      VAL  75  -0.035  -8.113  -4.210
    7   HG21  VAL  75          HG21      VAL  75   0.636 -10.643  -4.008
    8   HG23  VAL  75          HG22      VAL  75   0.004 -10.869  -5.638
    9   HG22  VAL  75          HG23      VAL  75  -0.615 -11.849  -4.311

  No H/Q in entry =           9
  In of MODEL   23
    1    H    HIS  76           H        HIS  76  -4.393  -9.290  -3.358
    2    HA   HIS  76           HA       HIS  76  -4.703  -6.513  -3.176
    3    HB2  HIS  76           HB2      HIS  76  -6.452  -8.098  -4.053
    4    HB3  HIS  76           HB3      HIS  76  -6.809  -8.555  -2.393
    5    HD1  HIS  76           HD1      HIS  76  -6.015  -4.950  -2.854
    6    HD2  HIS  76           HD2      HIS  76  -9.466  -7.316  -2.880
    7    HE1  HIS  76           HE1      HIS  76  -7.992  -3.353  -2.697

  No H/Q in entry =           7
  In of MODEL   23
    1    H    ALA  77           H        ALA  77  -4.693  -8.980  -0.679
    2    HA   ALA  77           HA       ALA  77  -5.513  -7.162   1.419
    3    HB1  ALA  77           HB1      ALA  77  -4.770  -9.154   2.884
    4    HB3  ALA  77           HB2      ALA  77  -4.564 -10.020   1.363
    5    HB2  ALA  77           HB3      ALA  77  -6.151  -9.397   1.813

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLN  78           H        GLN  78  -2.438  -8.805   0.523
    2    HA   GLN  78           HA       GLN  78  -0.925  -7.708   2.625
    3    HB2  GLN  78           HB2      GLN  78  -0.320  -9.643   1.061
    4    HB3  GLN  78           HB3      GLN  78   0.178  -8.411  -0.097
    5    HG2  GLN  78           HG2      GLN  78   1.733  -7.478   1.576
    6    HG3  GLN  78           HG3      GLN  78   1.252  -8.729   2.720
    7   HE21  GLN  78          HE21      GLN  78   3.789  -9.085   2.436
    8   HE22  GLN  78          HE22      GLN  78   4.230 -10.201   1.236

  No H/Q in entry =           8
  In of MODEL   23
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   23
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.176
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.803   2.201
    5    HD1  HIS  80           HD1      HIS  80  -6.817  -1.045   1.182
    6    HD2  HIS  80           HD2      HIS  80  -4.938  -3.365  -1.728
    7    HE1  HIS  80           HE1      HIS  80  -7.669  -0.213  -1.060
    8    HE2  HIS  80           HE2      HIS  80  -6.530  -1.622  -2.843

  No H/Q in entry =           8
  In of MODEL   23
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   23
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   23
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   23
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   23
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   23
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   23
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   23
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   23
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   23
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.434 -20.438  -4.415
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.881  -3.461
    5    HG2  GLU   5           HG2      GLU   5  10.869 -19.823  -1.476
    6    HG3  GLU   5           HG3      GLU   5   9.461 -19.336  -2.419

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   23
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   23
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   23
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.038 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.728 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.342 -16.597   2.246
    6    HG3  MET   9           HG3      MET   9  11.580 -17.034   0.553
    7    HE1  MET   9           HE1      MET   9  12.392 -17.506   4.079
    8    HE3  MET   9           HE2      MET   9  13.967 -18.227   3.759
    9    HE2  MET   9           HE3      MET   9  12.649 -19.233   4.356

  No H/Q in entry =           9
  In of MODEL   23
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   23
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.956   2.296
    4   HG12  ILE  12          HG12      ILE  12  10.825 -11.532  -0.017
    5   HG13  ILE  12          HG13      ILE  12   9.629 -12.247   1.044
    6   HG23  ILE  12          HG21      ILE  12  10.876 -10.661   4.155
    7   HG22  ILE  12          HG22      ILE  12   9.487 -11.449   3.407
    8   HG21  ILE  12          HG23      ILE  12   9.798  -9.740   3.109
    9   HD12  ILE  12          HD11      ILE  12   9.820  -9.378   0.123
   10   HD11  ILE  12          HD12      ILE  12   8.782  -9.886   1.444
   11   HD13  ILE  12          HD13      ILE  12   8.530 -10.534  -0.171

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.813 -12.623   4.658
    5   HG13  ILE  13          HG13      ILE  13  15.291 -13.528   4.964
    6   HG23  ILE  13          HG21      ILE  13  17.352 -10.386   5.437
    7   HG22  ILE  13          HG22      ILE  13  17.095 -11.961   6.188
    8   HG21  ILE  13          HG23      ILE  13  16.113 -10.580   6.676
    9   HD13  ILE  13          HD11      ILE  13  15.246 -13.097   7.238
   10   HD12  ILE  13          HD12      ILE  13  13.517 -13.061   6.904
   11   HD11  ILE  13          HD13      ILE  13  14.421 -11.553   7.032

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   23
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   23
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   23
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   23
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   23
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   23
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   23
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   23
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   23
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   23
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   23
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   23
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   23
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   23
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   23
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   23
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.332  -1.676  -5.677
    4    HB3  HIS  52           HB3      HIS  52  17.783  -1.773  -6.674
    5    HD1  HIS  52           HD1      HIS  52  17.321  -2.128  -9.325
    6    HD2  HIS  52           HD2      HIS  52  14.074  -0.829  -7.057
    7    HE1  HIS  52           HE1      HIS  52  15.621  -1.216 -10.966
    8    HE2  HIS  52           HE2      HIS  52  13.635  -0.419  -9.598

  No H/Q in entry =           8
  In of MODEL   23
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   23
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   23
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   23
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.061
    4    HG1  THR  56           HG1      THR  56  16.153  -4.217 -10.545
    5   HG23  THR  56          HG21      THR  56  17.772  -4.155 -13.978
    6   HG22  THR  56          HG22      THR  56  16.188  -3.482 -13.594
    7   HG21  THR  56          HG23      THR  56  16.315  -5.106 -14.263

  No H/Q in entry =           7
  In of MODEL   23
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   23
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.845  -7.160 -12.528
    4   HG12  ILE  59          HG12      ILE  59   9.881  -7.037 -14.825
    5   HG13  ILE  59          HG13      ILE  59   9.525  -7.854 -13.311
    6   HG22  ILE  59          HG21      ILE  59  12.051  -6.410 -15.447
    7   HG21  ILE  59          HG22      ILE  59  13.409  -6.500 -14.356
    8   HG23  ILE  59          HG23      ILE  59  12.150  -5.306 -14.087
    9   HD13  ILE  59          HD11      ILE  59   8.655  -5.666 -13.026
   10   HD12  ILE  59          HD12      ILE  59  10.083  -4.926 -13.750
   11   HD11  ILE  59          HD13      ILE  59  10.186  -5.661 -12.151

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   23
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   23
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   23
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   23
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   23
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   23
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   23
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   23
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LEU  74           H        LEU  74   6.929 -13.089  -8.616
    2    HA   LEU  74           HA       LEU  74   8.866 -11.141  -8.067
    3    HB2  LEU  74           HB2      LEU  74   8.266 -11.812 -10.319
    4    HB3  LEU  74           HB3      LEU  74   6.619 -11.235 -10.092
    5    HG   LEU  74           HG       LEU  74   7.494  -8.929  -9.818
    6   HD11  LEU  74          HD11      LEU  74  10.109 -10.364 -10.282
    7   HD13  LEU  74          HD12      LEU  74   9.698  -9.231  -8.996
    8   HD12  LEU  74          HD13      LEU  74   9.933  -8.649 -10.644
    9   HD23  LEU  74          HD21      LEU  74   8.629 -10.035 -12.391
   10   HD22  LEU  74          HD22      LEU  74   7.700  -8.569 -12.134
   11   HD21  LEU  74          HD23      LEU  74   6.898 -10.134 -12.077

  No H/Q in entry =          11
  In of MODEL   23
    1    H    VAL  75           H        VAL  75   5.414 -11.126  -7.738
    2    HA   VAL  75           HA       VAL  75   5.041  -8.359  -7.210
    3    HB   VAL  75           HB       VAL  75   3.422 -10.819  -6.519
    4   HG13  VAL  75          HG11      VAL  75   2.984  -9.168  -4.782
    5   HG12  VAL  75          HG12      VAL  75   1.607  -9.219  -5.882
    6   HG11  VAL  75          HG13      VAL  75   2.776  -7.903  -5.993
    7   HG21  VAL  75          HG21      VAL  75   3.069  -8.546  -8.509
    8   HG23  VAL  75          HG22      VAL  75   1.878  -9.814  -8.226
    9   HG22  VAL  75          HG23      VAL  75   3.458 -10.224  -8.888

  No H/Q in entry =           9
  In of MODEL   23
    1    H    HIS  76           H        HIS  76   5.531 -11.234  -4.972
    2    HA   HIS  76           HA       HIS  76   5.318  -9.850  -2.536
    3    HB2  HIS  76           HB2      HIS  76   5.485 -12.387  -2.929
    4    HB3  HIS  76           HB3      HIS  76   7.232 -12.139  -2.958
    5    HD1  HIS  76           HD1      HIS  76   7.894 -13.064  -0.699
    6    HD2  HIS  76           HD2      HIS  76   4.753 -10.335  -0.426
    7    HE1  HIS  76           HE1      HIS  76   7.515 -12.652   1.770

  No H/Q in entry =           7
  In of MODEL   23
    1    H    ALA  77           H        ALA  77   8.132 -10.453  -4.616
    2    HA   ALA  77           HA       ALA  77  10.007  -9.181  -2.886
    3    HB3  ALA  77           HB1      ALA  77  11.362  -9.043  -5.091
    4    HB2  ALA  77           HB2      ALA  77  10.029  -9.960  -5.793
    5    HB1  ALA  77           HB3      ALA  77  10.962 -10.643  -4.462

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLN  78           H        GLN  78   8.125  -8.057  -5.695
    2    HA   GLN  78           HA       GLN  78   9.288  -5.470  -5.793
    3    HB2  GLN  78           HB2      GLN  78   7.898  -6.676  -7.586
    4    HB3  GLN  78           HB3      GLN  78   6.483  -6.151  -6.675
    5    HG2  GLN  78           HG2      GLN  78   7.227  -3.809  -6.872
    6    HG3  GLN  78           HG3      GLN  78   8.631  -4.333  -7.799
    7   HE21  GLN  78          HE21      GLN  78   7.394  -2.730  -9.391
    8   HE22  GLN  78          HE22      GLN  78   6.288  -3.472 -10.444

  No H/Q in entry =           8
  In of MODEL   23
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   23
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.172  -7.450  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.037  -6.564   0.739
    5    HD1  HIS  80           HD1      HIS  80   9.450  -7.170   3.073
    6    HD2  HIS  80           HD2      HIS  80   6.387  -8.156   0.422
    7    HE1  HIS  80           HE1      HIS  80   7.656  -8.331   4.446
    8    HE2  HIS  80           HE2      HIS  80   5.783  -8.937   2.839

  No H/Q in entry =           8
  In of MODEL   23
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   23
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   23
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   23
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   23
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   23
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   23
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   23
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   23
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   23
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.112  -6.383 -21.724
    4    HB3  GLU   5           HB3      GLU   5   0.411  -5.155 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.480  -4.486 -21.822
    6    HG3  GLU   5           HG3      GLU   5   2.176  -5.654 -20.538

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   23
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   23
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   23
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.436 -21.000
    4    HB3  MET   9           HB3      MET   9   4.427   1.168 -20.551
    5    HG2  MET   9           HG2      MET   9   5.217  -0.958 -19.650
    6    HG3  MET   9           HG3      MET   9   3.652  -1.705 -19.972
    7    HE1  MET   9           HE1      MET   9   6.575   0.131 -21.149
    8    HE3  MET   9           HE2      MET   9   5.746   0.817 -22.544
    9    HE2  MET   9           HE3      MET   9   6.961  -0.436 -22.779

  No H/Q in entry =           9
  In of MODEL   23
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   23
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.463   1.678 -15.889
    4   HG12  ILE  12          HG12      ILE  12   2.669   0.274 -14.850
    5   HG13  ILE  12          HG13      ILE  12   4.215  -0.542 -14.942
    6   HG23  ILE  12          HG21      ILE  12   6.286   2.504 -14.559
    7   HG22  ILE  12          HG22      ILE  12   6.286   0.745 -14.431
    8   HG21  ILE  12          HG23      ILE  12   5.652   1.724 -13.111
    9   HD12  ILE  12          HD11      ILE  12   2.901   0.674 -12.513
   10   HD11  ILE  12          HD12      ILE  12   4.584   0.178 -12.539
   11   HD13  ILE  12          HD13      ILE  12   3.313  -1.009 -12.799

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.811 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.825   3.928 -17.793
    5   HG13  ILE  13          HG13      ILE  13   5.627   4.710 -19.359
    6   HG23  ILE  13          HG21      ILE  13   4.771   8.053 -17.803
    7   HG22  ILE  13          HG22      ILE  13   5.773   7.373 -19.085
    8   HG21  ILE  13          HG23      ILE  13   6.423   7.543 -17.455
    9   HD13  ILE  13          HD11      ILE  13   7.639   5.844 -19.197
   10   HD12  ILE  13          HD12      ILE  13   8.033   4.420 -18.236
   11   HD11  ILE  13          HD13      ILE  13   7.570   5.922 -17.437

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   23
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   23
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   23
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   23
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   23
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   23
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   23
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   23
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   23
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   23
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   23
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   23
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   23
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   23
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   23
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   23
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.053  -8.761
    4    HB3  HIS  52           HB3      HIS  52  -7.547   7.683  -9.496
    5    HD1  HIS  52           HD1      HIS  52  -9.699   6.037  -9.304
    6    HD2  HIS  52           HD2      HIS  52  -6.531   5.224  -6.722
    7    HE1  HIS  52           HE1      HIS  52 -10.623   4.536  -7.493
    8    HE2  HIS  52           HE2      HIS  52  -8.706   4.035  -5.902

  No H/Q in entry =           8
  In of MODEL   23
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   23
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   23
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   23
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.900   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.041   3.581 -10.318
    5   HG23  THR  56          HG21      THR  56 -13.820   3.361 -10.846
    6   HG22  THR  56          HG22      THR  56 -12.939   2.778  -9.434
    7   HG21  THR  56          HG23      THR  56 -13.301   1.678 -10.761

  No H/Q in entry =           7
  In of MODEL   23
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   23
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.663  -1.973 -10.404
    4   HG12  ILE  59          HG12      ILE  59 -10.939  -4.322  -9.003
    5   HG13  ILE  59          HG13      ILE  59  -9.347  -4.430  -9.737
    6   HG21  ILE  59          HG21      ILE  59 -12.545  -2.623  -9.788
    7   HG23  ILE  59          HG22      ILE  59 -11.906  -1.095 -10.334
    8   HG22  ILE  59          HG23      ILE  59 -11.526  -1.674  -8.721
    9   HD13  ILE  59          HD11      ILE  59  -8.832  -3.805  -7.542
   10   HD12  ILE  59          HD12      ILE  59 -10.233  -2.742  -7.420
   11   HD11  ILE  59          HD13      ILE  59  -8.839  -2.256  -8.384

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   23
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   23
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   23
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   23
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   23
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   23
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   23
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   23
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LEU  74           H        LEU  74  -3.292  -7.030 -13.318
    2    HA   LEU  74           HA       LEU  74  -3.856  -4.364 -12.695
    3    HB2  LEU  74           HB2      LEU  74  -5.544  -6.116 -12.732
    4    HB3  LEU  74           HB3      LEU  74  -4.748  -6.960 -11.410
    5    HG   LEU  74           HG       LEU  74  -5.199  -5.022  -9.931
    6   HD11  LEU  74          HD11      LEU  74  -6.460  -3.970 -12.464
    7   HD13  LEU  74          HD12      LEU  74  -5.301  -3.170 -11.406
    8   HD12  LEU  74          HD13      LEU  74  -6.969  -3.388 -10.881
    9   HD23  LEU  74          HD21      LEU  74  -7.819  -5.804 -11.224
   10   HD22  LEU  74          HD22      LEU  74  -7.433  -5.649  -9.519
   11   HD21  LEU  74          HD23      LEU  74  -6.826  -7.025 -10.431

  No H/Q in entry =          11
  In of MODEL   23
    1    H    VAL  75           H        VAL  75  -2.150  -6.822 -10.939
    2    HA   VAL  75           HA       VAL  75  -1.914  -5.490  -8.442
    3    HB   VAL  75           HB       VAL  75  -0.282  -7.667  -9.754
    4   HG13  VAL  75          HG11      VAL  75   1.227  -6.419  -8.300
    5   HG12  VAL  75          HG12      VAL  75   0.801  -7.939  -7.514
    6   HG11  VAL  75          HG13      VAL  75   0.036  -6.436  -7.000
    7   HG21  VAL  75          HG21      VAL  75  -2.255  -7.600  -7.439
    8   HG23  VAL  75          HG22      VAL  75  -1.341  -9.027  -7.928
    9   HG22  VAL  75          HG23      VAL  75  -2.524  -8.319  -9.026

  No H/Q in entry =           9
  In of MODEL   23
    1    H    HIS  76           H        HIS  76   0.316  -5.629 -11.354
    2    HA   HIS  76           HA       HIS  76   2.393  -4.062 -10.294
    3    HB2  HIS  76           HB2      HIS  76   2.365  -5.382 -12.493
    4    HB3  HIS  76           HB3      HIS  76   1.568  -3.972 -13.191
    5    HD1  HIS  76           HD1      HIS  76   3.492  -3.051 -14.574
    6    HD2  HIS  76           HD2      HIS  76   4.558  -3.712 -10.599
    7    HE1  HIS  76           HE1      HIS  76   5.788  -2.028 -14.269

  No H/Q in entry =           7
  In of MODEL   23
    1    H    ALA  77           H        ALA  77  -0.531  -3.125 -12.075
    2    HA   ALA  77           HA       ALA  77   0.079  -0.344 -12.129
    3    HB2  ALA  77           HB1      ALA  77  -2.486  -0.191 -12.492
    4    HB3  ALA  77           HB2      ALA  77  -2.438  -1.953 -12.512
    5    HB1  ALA  77           HB3      ALA  77  -1.525  -1.034 -13.708

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLN  78           H        GLN  78  -1.839  -2.372  -9.922
    2    HA   GLN  78           HA       GLN  78  -2.775  -0.225  -8.317
    3    HB2  GLN  78           HB2      GLN  78  -3.657  -2.634  -8.446
    4    HB3  GLN  78           HB3      GLN  78  -2.336  -3.052  -7.355
    5    HG2  GLN  78           HG2      GLN  78  -3.149  -1.373  -5.739
    6    HG3  GLN  78           HG3      GLN  78  -4.487  -0.988  -6.819
    7   HE21  GLN  78          HE21      GLN  78  -5.634  -1.767  -4.647
    8   HE22  GLN  78          HE22      GLN  78  -6.021  -3.419  -4.590

  No H/Q in entry =           8
  In of MODEL   23
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   23
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.313   0.894 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.971   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.398   2.749 -10.743
    6    HD2  HIS  80           HD2      HIS  80   4.398  -1.167  -9.724
    7    HE1  HIS  80           HE1      HIS  80   7.533   1.386 -10.940
    8    HE2  HIS  80           HE2      HIS  80   6.934  -1.005 -10.322

  No H/Q in entry =           8
  In of MODEL   23
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   23
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   23
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   23
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   23
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   23
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   23
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   23
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   23
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   23
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   23
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   23
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   23
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   23
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   23
    1    H    PHE   9           H        PHE   9 -21.263   0.645  -3.897
    2    HA   PHE   9           HA       PHE   9 -18.516   1.550  -4.561
    3    HB2  PHE   9           HB2      PHE   9 -20.323   2.469  -2.319
    4    HB3  PHE   9           HB3      PHE   9 -18.617   2.888  -2.459
    5    HD1  PHE   9           HD1      PHE   9 -21.979   3.521  -3.681
    6    HD2  PHE   9           HD2      PHE   9 -17.808   4.201  -4.438
    7    HE1  PHE   9           HE1      PHE   9 -22.564   5.359  -5.236
    8    HE2  PHE   9           HE2      PHE   9 -18.392   6.040  -5.998
    9    HZ   PHE   9           HZ       PHE   9 -20.771   6.619  -6.397

  No H/Q in entry =           9
  In of MODEL   23
    1    H    CYS  10           H        CYS  10 -16.882   0.965  -3.232
    2    HA   CYS  10           HA       CYS  10 -17.144  -0.703  -0.895
    3    HB2  CYS  10           HB2      CYS  10 -15.996  -2.632  -1.675
    4    HB3  CYS  10           HB3      CYS  10 -17.195  -2.288  -2.925

  No H/Q in entry =           4
  In of MODEL   23
    1    H    SER  11           H        SER  11 -14.336  -1.394  -0.467
    2    HA   SER  11           HA       SER  11 -13.471   1.316  -0.119
    3    HB2  SER  11           HB2      SER  11 -12.591   0.115   1.604
    4    HB3  SER  11           HB3      SER  11 -12.439  -1.349   0.655
    5    HG   SER  11           HG       SER  11 -10.554   0.352   1.262

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA  12           H        ALA  12 -12.743  -1.101  -2.667
    2    HA   ALA  12           HA       ALA  12 -10.892   0.922  -3.743
    3    HB1  ALA  12           HB1      ALA  12 -10.220  -1.754  -2.924
    4    HB3  ALA  12           HB2      ALA  12  -9.165  -0.498  -3.569
    5    HB2  ALA  12           HB3      ALA  12 -10.002  -1.594  -4.667

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLY  13           H        GLY  13 -13.010  -1.833  -4.324
    2    HA3  GLY  13           HA2      GLY  13 -14.759  -1.537  -5.997
    3    HA2  GLY  13           HA3      GLY  13 -13.555  -0.760  -7.018

  No H/Q in entry =           3
  In of MODEL   23
    1    H    MET  14           H        MET  14 -12.699  -3.722  -5.235
    2    HA   MET  14           HA       MET  14 -12.563  -5.037  -7.873
    3    HB2  MET  14           HB2      MET  14 -10.464  -4.761  -6.476
    4    HB3  MET  14           HB3      MET  14 -11.160  -5.939  -5.362
    5    HG2  MET  14           HG2      MET  14 -11.520  -7.358  -7.553
    6    HG3  MET  14           HG3      MET  14 -10.247  -6.324  -8.196
    7    HE2  MET  14           HE1      MET  14  -7.727  -6.337  -7.374
    8    HE1  MET  14           HE2      MET  14  -8.326  -7.507  -8.546
    9    HE3  MET  14           HE3      MET  14  -7.215  -8.027  -7.282

  No H/Q in entry =           9
  In of MODEL   23
    1    H    SER  15           H        SER  15 -12.851  -6.321  -4.579
    2    HA   SER  15           HA       SER  15 -14.103  -8.674  -5.178
    3    HB2  SER  15           HB2      SER  15 -15.122  -7.127  -2.830
    4    HB3  SER  15           HB3      SER  15 -14.737  -8.843  -2.961
    5    HG   SER  15           HG       SER  15 -12.507  -7.808  -3.477

  No H/Q in entry =           5
  In of MODEL   23
    1    H    THR  16           H        THR  16 -15.520  -5.477  -5.464
    2    HA   THR  16           HA       THR  16 -18.204  -6.691  -5.637
    3    HB   THR  16           HB       THR  16 -17.454  -3.773  -5.944
    4    HG1  THR  16           HG1      THR  16 -18.657  -4.598  -3.628
    5   HG23  THR  16          HG21      THR  16 -19.622  -4.059  -6.792
    6   HG22  THR  16          HG22      THR  16 -19.917  -3.640  -5.103
    7   HG21  THR  16          HG23      THR  16 -20.015  -5.322  -5.624

  No H/Q in entry =           7
  In of MODEL   23
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   23
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   23
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   23
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   23
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   23
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   23
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   23
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   23
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   23
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   23
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   23
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   23
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   23
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   23
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   23
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   23
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   23
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   23
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   23
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   23
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   23
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.053  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.796
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.016  -5.616  -0.005
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.010

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   23
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   23
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   23
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   23
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   23
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   23
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   23
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   23
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   23
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   23
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   23
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   23
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   23
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   23
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   23
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   23
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   23
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   23
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   23
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   23
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   23
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   23
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   23
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   23
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   23
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   23
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   23
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   23
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   23
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   23
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   24
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.301 -14.305  -2.712
    4    HB3  GLU   5           HB3      GLU   5 -14.707 -13.899  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.806 -12.525  -3.703
    6    HG3  GLU   5           HG3      GLU   5 -14.344 -11.480  -2.359

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   24
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   24
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   24
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.429   1.547
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.707   1.339
    5    HG2  MET   9           HG2      MET   9 -14.285  -6.797  -0.973
    6    HG3  MET   9           HG3      MET   9 -13.798  -8.482  -0.786
    7    HE1  MET   9           HE1      MET   9 -16.316  -5.907  -0.442
    8    HE3  MET   9           HE2      MET   9 -17.437  -6.821   0.562
    9    HE2  MET   9           HE3      MET   9 -17.820  -6.529  -1.128

  No H/Q in entry =           9
  In of MODEL   24
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   24
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.383   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.249  -6.174   0.966
    5   HG13  ILE  12          HG13      ILE  12  -9.697  -5.422  -0.552
    6   HG23  ILE  12          HG21      ILE  12 -10.221  -2.985  -0.607
    7   HG22  ILE  12          HG22      ILE  12  -8.741  -2.575   0.263
    8   HG21  ILE  12          HG23      ILE  12 -10.315  -2.074   0.894
    9   HD13  ILE  12          HD11      ILE  12  -7.312  -5.660  -0.573
   10   HD12  ILE  12          HD12      ILE  12  -7.175  -5.033   1.060
   11   HD11  ILE  12          HD13      ILE  12  -7.642  -3.965  -0.256

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.235
    4   HG12  ILE  13          HG12      ILE  13 -13.493  -3.069   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.921  -3.526   3.577
    6   HG23  ILE  13          HG21      ILE  13 -13.793  -1.900   6.745
    7   HG22  ILE  13          HG22      ILE  13 -15.163  -1.818   5.637
    8   HG21  ILE  13          HG23      ILE  13 -13.839  -0.662   5.489
    9   HD13  ILE  13          HD11      ILE  13 -15.797  -1.372   3.550
   10   HD12  ILE  13          HD12      ILE  13 -14.943  -1.384   2.013
   11   HD11  ILE  13          HD13      ILE  13 -14.207  -0.623   3.421

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   24
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   24
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   24
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   24
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   24
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   24
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   24
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   24
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   24
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   24
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   24
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   24
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   24
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   24
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   24
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   24
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.931  -6.675  10.548
    4    HB3  HIS  52           HB3      HIS  52  -1.122  -7.730  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.224 -10.034  11.874
    6    HD2  HIS  52           HD2      HIS  52   1.277  -7.273   8.934
    7    HE1  HIS  52           HE1      HIS  52   2.435 -10.816  10.918
    8    HE2  HIS  52           HE2      HIS  52   3.092  -9.142   9.124

  No H/Q in entry =           8
  In of MODEL   24
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   24
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   24
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   24
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.220  10.983
    4    HG1  THR  56           HG1      THR  56   0.504 -12.248   9.786
    5   HG23  THR  56          HG21      THR  56   0.892 -15.191  11.663
    6   HG22  THR  56          HG22      THR  56   1.850 -14.267  10.508
    7   HG21  THR  56          HG23      THR  56   0.943 -15.679   9.970

  No H/Q in entry =           7
  In of MODEL   24
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   24
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.914
    4   HG12  ILE  59          HG12      ILE  59   2.379 -16.253   3.434
    5   HG13  ILE  59          HG13      ILE  59   1.134 -15.324   2.614
    6   HG21  ILE  59          HG21      ILE  59   1.120 -16.027   6.797
    7   HG23  ILE  59          HG22      ILE  59   2.387 -15.063   6.086
    8   HG22  ILE  59          HG23      ILE  59   2.289 -16.779   5.728
    9   HD13  ILE  59          HD11      ILE  59   2.991 -13.855   2.724
   10   HD12  ILE  59          HD12      ILE  59   3.339 -14.301   4.395
   11   HD11  ILE  59          HD13      ILE  59   1.920 -13.323   4.021

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   24
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   24
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   24
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   24
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   24
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   24
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   24
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   24
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LEU  74           H        LEU  74  -4.199 -13.636  -2.394
    2    HA   LEU  74           HA       LEU  74  -3.794 -12.467   0.112
    3    HB2  LEU  74           HB2      LEU  74  -2.877 -14.622  -0.508
    4    HB3  LEU  74           HB3      LEU  74  -1.902 -13.885  -1.775
    5    HG   LEU  74           HG       LEU  74  -0.642 -12.630  -0.062
    6   HD11  LEU  74          HD11      LEU  74  -2.570 -14.064   1.765
    7   HD13  LEU  74          HD12      LEU  74  -2.179 -12.346   1.718
    8   HD12  LEU  74          HD13      LEU  74  -1.006 -13.500   2.353
    9   HD23  LEU  74          HD21      LEU  74  -0.650 -15.529   0.796
   10   HD22  LEU  74          HD22      LEU  74   0.716 -14.460   0.537
   11   HD21  LEU  74          HD23      LEU  74  -0.171 -15.095  -0.843

  No H/Q in entry =          11
  In of MODEL   24
    1    H    VAL  75           H        VAL  75  -2.719 -11.546  -3.043
    2    HA   VAL  75           HA       VAL  75  -0.720  -9.666  -2.227
    3    HB   VAL  75           HB       VAL  75  -2.237 -10.083  -4.813
    4   HG12  VAL  75          HG11      VAL  75  -0.546  -8.488  -5.790
    5   HG11  VAL  75          HG12      VAL  75  -0.092  -8.049  -4.143
    6   HG13  VAL  75          HG13      VAL  75  -1.725  -7.726  -4.724
    7   HG21  VAL  75          HG21      VAL  75   0.658 -10.555  -4.002
    8   HG23  VAL  75          HG22      VAL  75  -0.012 -10.857  -5.605
    9   HG22  VAL  75          HG23      VAL  75  -0.570 -11.802  -4.226

  No H/Q in entry =           9
  In of MODEL   24
    1    H    HIS  76           H        HIS  76  -4.406  -9.255  -3.360
    2    HA   HIS  76           HA       HIS  76  -4.718  -6.483  -3.175
    3    HB2  HIS  76           HB2      HIS  76  -6.470  -8.055  -4.051
    4    HB3  HIS  76           HB3      HIS  76  -6.819  -8.532  -2.395
    5    HD1  HIS  76           HD1      HIS  76  -6.037  -4.922  -2.780
    6    HD2  HIS  76           HD2      HIS  76  -9.484  -7.293  -2.895
    7    HE1  HIS  76           HE1      HIS  76  -8.019  -3.333  -2.607

  No H/Q in entry =           7
  In of MODEL   24
    1    H    ALA  77           H        ALA  77  -4.720  -8.943  -0.662
    2    HA   ALA  77           HA       ALA  77  -5.516  -7.096   1.423
    3    HB1  ALA  77           HB1      ALA  77  -4.776  -9.094   2.898
    4    HB3  ALA  77           HB2      ALA  77  -4.624  -9.970   1.376
    5    HB2  ALA  77           HB3      ALA  77  -6.185  -9.309   1.858

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLN  78           H        GLN  78  -2.470  -8.800   0.542
    2    HA   GLN  78           HA       GLN  78  -0.922  -7.716   2.619
    3    HB2  GLN  78           HB2      GLN  78  -0.351  -9.646   1.035
    4    HB3  GLN  78           HB3      GLN  78   0.144  -8.409  -0.120
    5    HG2  GLN  78           HG2      GLN  78   1.710  -7.492   1.569
    6    HG3  GLN  78           HG3      GLN  78   1.254  -8.786   2.674
    7   HE21  GLN  78          HE21      GLN  78   1.012 -10.568   0.094
    8   HE22  GLN  78          HE22      GLN  78   2.622 -11.022  -0.195

  No H/Q in entry =           8
  In of MODEL   24
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   24
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.177
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.802   2.201
    5    HD1  HIS  80           HD1      HIS  80  -6.823  -1.051   1.181
    6    HD2  HIS  80           HD2      HIS  80  -4.931  -3.362  -1.728
    7    HE1  HIS  80           HE1      HIS  80  -7.673  -0.219  -1.063
    8    HE2  HIS  80           HE2      HIS  80  -6.526  -1.623  -2.845

  No H/Q in entry =           8
  In of MODEL   24
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   24
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   24
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   24
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   24
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   24
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   24
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   24
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   24
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   24
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.449 -20.446  -4.423
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.878  -3.443
    5    HG2  GLU   5           HG2      GLU   5   9.915 -21.079  -2.029
    6    HG3  GLU   5           HG3      GLU   5  10.783 -19.629  -1.524

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   24
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   24
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   24
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.035 -16.707   0.856
    4    HB3  MET   9           HB3      MET   9  13.731 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.346 -16.598   2.257
    6    HG3  MET   9           HG3      MET   9  11.573 -17.027   0.561
    7    HE1  MET   9           HE1      MET   9  12.516 -17.456   4.039
    8    HE3  MET   9           HE2      MET   9  14.010 -18.342   3.744
    9    HE2  MET   9           HE3      MET   9  12.597 -19.192   4.364

  No H/Q in entry =           9
  In of MODEL   24
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   24
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.310
    4   HG12  ILE  12          HG12      ILE  12  10.849 -11.578  -0.009
    5   HG13  ILE  12          HG13      ILE  12   9.623 -12.245   1.050
    6   HG22  ILE  12          HG21      ILE  12   9.507 -11.471   3.420
    7   HG21  ILE  12          HG22      ILE  12   9.744  -9.758   3.072
    8   HG23  ILE  12          HG23      ILE  12  10.862 -10.605   4.140
    9   HD13  ILE  12          HD11      ILE  12   8.563 -10.522  -0.218
   10   HD12  ILE  12          HD12      ILE  12   9.900  -9.415   0.042
   11   HD11  ILE  12          HD13      ILE  12   8.843  -9.845   1.379

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.813 -12.622   4.658
    5   HG13  ILE  13          HG13      ILE  13  15.290 -13.528   4.961
    6   HG23  ILE  13          HG21      ILE  13  17.431 -10.513   5.403
    7   HG22  ILE  13          HG22      ILE  13  16.984 -11.967   6.295
    8   HG21  ILE  13          HG23      ILE  13  16.142 -10.448   6.605
    9   HD13  ILE  13          HD11      ILE  13  15.250 -13.099   7.236
   10   HD12  ILE  13          HD12      ILE  13  13.519 -13.066   6.904
   11   HD11  ILE  13          HD13      ILE  13  14.421 -11.556   7.032

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   24
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   24
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   24
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   24
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   24
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   24
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   24
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   24
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   24
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   24
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   24
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   24
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   24
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   24
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   24
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   24
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.295  -1.676  -5.695
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.633
    5    HD1  HIS  52           HD1      HIS  52  17.500  -1.967  -9.280
    6    HD2  HIS  52           HD2      HIS  52  14.026  -0.998  -7.188
    7    HE1  HIS  52           HE1      HIS  52  15.850  -1.103 -10.995
    8    HE2  HIS  52           HE2      HIS  52  13.727  -0.506  -9.735

  No H/Q in entry =           8
  In of MODEL   24
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   24
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   24
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   24
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.065
    4    HG1  THR  56           HG1      THR  56  15.814  -3.754 -11.097
    5   HG23  THR  56          HG21      THR  56  17.769  -4.172 -13.987
    6   HG22  THR  56          HG22      THR  56  16.205  -3.465 -13.584
    7   HG21  THR  56          HG23      THR  56  16.289  -5.091 -14.257

  No H/Q in entry =           7
  In of MODEL   24
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   24
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.840  -7.161 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.888  -7.039 -14.834
    5   HG13  ILE  59          HG13      ILE  59   9.523  -7.849 -13.319
    6   HG21  ILE  59          HG21      ILE  59  13.404  -6.460 -14.323
    7   HG23  ILE  59          HG22      ILE  59  12.111  -5.313 -14.084
    8   HG22  ILE  59          HG23      ILE  59  12.068  -6.403 -15.460
    9   HD13  ILE  59          HD11      ILE  59   8.657  -5.659 -13.043
   10   HD12  ILE  59          HD12      ILE  59  10.086  -4.923 -13.768
   11   HD11  ILE  59          HD13      ILE  59  10.186  -5.651 -12.166

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   24
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   24
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   24
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   24
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   24
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   24
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   24
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   24
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LEU  74           H        LEU  74   6.933 -13.103  -8.616
    2    HA   LEU  74           HA       LEU  74   8.864 -11.151  -8.091
    3    HB2  LEU  74           HB2      LEU  74   8.235 -11.821 -10.335
    4    HB3  LEU  74           HB3      LEU  74   6.591 -11.244 -10.086
    5    HG   LEU  74           HG       LEU  74   7.443  -8.939  -9.850
    6   HD11  LEU  74          HD11      LEU  74  10.082 -10.350 -10.243
    7   HD13  LEU  74          HD12      LEU  74   9.634  -9.199  -8.986
    8   HD12  LEU  74          HD13      LEU  74   9.895  -8.643 -10.639
    9   HD23  LEU  74          HD21      LEU  74   8.637 -10.062 -12.391
   10   HD22  LEU  74          HD22      LEU  74   7.694  -8.599 -12.167
   11   HD21  LEU  74          HD23      LEU  74   6.901 -10.169 -12.107

  No H/Q in entry =          11
  In of MODEL   24
    1    H    VAL  75           H        VAL  75   5.409 -11.128  -7.712
    2    HA   VAL  75           HA       VAL  75   5.071  -8.355  -7.170
    3    HB   VAL  75           HB       VAL  75   3.422 -10.800  -6.499
    4   HG12  VAL  75          HG11      VAL  75   1.629  -9.166  -5.857
    5   HG11  VAL  75          HG12      VAL  75   2.835  -7.881  -5.917
    6   HG13  VAL  75          HG13      VAL  75   2.994  -9.184  -4.740
    7   HG21  VAL  75          HG21      VAL  75   3.039  -8.487  -8.439
    8   HG23  VAL  75          HG22      VAL  75   1.899  -9.811  -8.203
    9   HG22  VAL  75          HG23      VAL  75   3.498 -10.135  -8.869

  No H/Q in entry =           9
  In of MODEL   24
    1    H    HIS  76           H        HIS  76   5.561 -11.257  -4.971
    2    HA   HIS  76           HA       HIS  76   5.351  -9.928  -2.512
    3    HB2  HIS  76           HB2      HIS  76   5.554 -12.446  -2.932
    4    HB3  HIS  76           HB3      HIS  76   7.296 -12.177  -3.017
    5    HD1  HIS  76           HD1      HIS  76   5.184 -10.134  -0.694
    6    HD2  HIS  76           HD2      HIS  76   7.744 -13.418  -0.476
    7    HE1  HIS  76           HE1      HIS  76   5.645 -10.522   1.766

  No H/Q in entry =           7
  In of MODEL   24
    1    H    ALA  77           H        ALA  77   8.178 -10.455  -4.597
    2    HA   ALA  77           HA       ALA  77  10.012  -9.152  -2.843
    3    HB3  ALA  77           HB1      ALA  77  11.380  -8.990  -5.051
    4    HB2  ALA  77           HB2      ALA  77  10.080  -9.964  -5.737
    5    HB1  ALA  77           HB3      ALA  77  11.032 -10.589  -4.391

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLN  78           H        GLN  78   8.157  -8.071  -5.685
    2    HA   GLN  78           HA       GLN  78   9.277  -5.475  -5.808
    3    HB2  GLN  78           HB2      GLN  78   7.874  -6.717  -7.571
    4    HB3  GLN  78           HB3      GLN  78   6.467  -6.183  -6.653
    5    HG2  GLN  78           HG2      GLN  78   7.233  -3.838  -6.882
    6    HG3  GLN  78           HG3      GLN  78   8.594  -4.391  -7.856
    7   HE21  GLN  78          HE21      GLN  78   6.617  -6.560  -8.965
    8   HE22  GLN  78          HE22      GLN  78   5.758  -5.709 -10.157

  No H/Q in entry =           8
  In of MODEL   24
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   24
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.171  -7.451  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.038  -6.564   0.738
    5    HD1  HIS  80           HD1      HIS  80   9.455  -7.172   3.072
    6    HD2  HIS  80           HD2      HIS  80   6.385  -8.152   0.426
    7    HE1  HIS  80           HE1      HIS  80   7.661  -8.332   4.448
    8    HE2  HIS  80           HE2      HIS  80   5.783  -8.933   2.844

  No H/Q in entry =           8
  In of MODEL   24
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   24
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   24
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   24
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   24
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   24
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   24
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   24
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   24
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   24
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.083  -6.376 -21.757
    4    HB3  GLU   5           HB3      GLU   5   0.449  -5.131 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.546  -6.101 -22.270
    6    HG3  GLU   5           HG3      GLU   5   2.453  -4.497 -21.548

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   24
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   24
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   24
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.884   0.432 -21.000
    4    HB3  MET   9           HB3      MET   9   4.424   1.171 -20.553
    5    HG2  MET   9           HG2      MET   9   5.226  -0.950 -19.654
    6    HG3  MET   9           HG3      MET   9   3.662  -1.704 -19.962
    7    HE1  MET   9           HE1      MET   9   6.478   0.237 -21.169
    8    HE3  MET   9           HE2      MET   9   5.728   0.785 -22.667
    9    HE2  MET   9           HE3      MET   9   6.983  -0.450 -22.719

  No H/Q in entry =           9
  In of MODEL   24
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   24
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.477   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.666   0.278 -14.894
    5   HG13  ILE  12          HG13      ILE  12   4.212  -0.542 -14.953
    6   HG22  ILE  12          HG21      ILE  12   6.290   0.752 -14.458
    7   HG21  ILE  12          HG22      ILE  12   5.638   1.655 -13.091
    8   HG23  ILE  12          HG23      ILE  12   6.271   2.514 -14.493
    9   HD13  ILE  12          HD11      ILE  12   3.283  -1.013 -12.810
   10   HD12  ILE  12          HD12      ILE  12   2.809   0.660 -12.570
   11   HD11  ILE  12          HD13      ILE  12   4.510   0.215 -12.540

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.812 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.826   3.928 -17.792
    5   HG13  ILE  13          HG13      ILE  13   5.625   4.707 -19.358
    6   HG23  ILE  13          HG21      ILE  13   4.725   8.033 -17.953
    7   HG22  ILE  13          HG22      ILE  13   5.921   7.330 -19.042
    8   HG21  ILE  13          HG23      ILE  13   6.325   7.605 -17.348
    9   HD13  ILE  13          HD11      ILE  13   7.635   5.845 -19.201
   10   HD12  ILE  13          HD12      ILE  13   8.033   4.421 -18.241
   11   HD11  ILE  13          HD13      ILE  13   7.571   5.922 -17.441

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   24
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   24
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   24
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   24
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   24
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   24
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   24
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   24
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   24
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   24
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   24
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   24
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   24
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   24
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   24
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   24
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.018  -8.740
    4    HB3  HIS  52           HB3      HIS  52  -7.512   7.703  -9.500
    5    HD1  HIS  52           HD1      HIS  52  -9.756   6.282  -9.256
    6    HD2  HIS  52           HD2      HIS  52  -6.601   5.038  -6.834
    7    HE1  HIS  52           HE1      HIS  52 -10.759   4.760  -7.506
    8    HE2  HIS  52           HE2      HIS  52  -8.850   3.996  -6.012

  No H/Q in entry =           8
  In of MODEL   24
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   24
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   24
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   24
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.901   3.587 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.463   3.324  -9.705
    5   HG23  THR  56          HG21      THR  56 -13.822   3.353 -10.853
    6   HG22  THR  56          HG22      THR  56 -12.941   2.791  -9.433
    7   HG21  THR  56          HG23      THR  56 -13.294   1.674 -10.749

  No H/Q in entry =           7
  In of MODEL   24
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   24
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.671  -1.964 -10.407
    4   HG12  ILE  59          HG12      ILE  59 -10.913  -4.335  -9.009
    5   HG13  ILE  59          HG13      ILE  59  -9.320  -4.414  -9.744
    6   HG23  ILE  59          HG21      ILE  59 -11.950  -1.138 -10.327
    7   HG22  ILE  59          HG22      ILE  59 -11.489  -1.660  -8.728
    8   HG21  ILE  59          HG23      ILE  59 -12.542  -2.668  -9.706
    9   HD13  ILE  59          HD11      ILE  59  -8.838  -3.799  -7.530
   10   HD12  ILE  59          HD12      ILE  59 -10.232  -2.725  -7.434
   11   HD11  ILE  59          HD13      ILE  59  -8.823  -2.256  -8.384

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   24
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   24
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   24
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   24
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   24
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   24
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   24
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   24
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LEU  74           H        LEU  74  -3.292  -7.028 -13.327
    2    HA   LEU  74           HA       LEU  74  -3.873  -4.372 -12.699
    3    HB2  LEU  74           HB2      LEU  74  -5.547  -6.134 -12.721
    4    HB3  LEU  74           HB3      LEU  74  -4.733  -6.975 -11.408
    5    HG   LEU  74           HG       LEU  74  -5.196  -5.066  -9.910
    6   HD11  LEU  74          HD11      LEU  74  -6.440  -3.965 -12.431
    7   HD13  LEU  74          HD12      LEU  74  -5.279  -3.190 -11.355
    8   HD12  LEU  74          HD13      LEU  74  -6.951  -3.405 -10.840
    9   HD23  LEU  74          HD21      LEU  74  -7.817  -5.807 -11.224
   10   HD22  LEU  74          HD22      LEU  74  -7.435  -5.685  -9.516
   11   HD21  LEU  74          HD23      LEU  74  -6.836  -7.050 -10.450

  No H/Q in entry =          11
  In of MODEL   24
    1    H    VAL  75           H        VAL  75  -2.133  -6.806 -10.941
    2    HA   VAL  75           HA       VAL  75  -1.900  -5.442  -8.456
    3    HB   VAL  75           HB       VAL  75  -0.282  -7.646  -9.739
    4   HG12  VAL  75          HG11      VAL  75   0.796  -7.887  -7.485
    5   HG11  VAL  75          HG12      VAL  75   0.069  -6.350  -7.019
    6   HG13  VAL  75          HG13      VAL  75   1.254  -6.405  -8.324
    7   HG21  VAL  75          HG21      VAL  75  -2.203  -7.553  -7.379
    8   HG23  VAL  75          HG22      VAL  75  -1.345  -8.992  -7.932
    9   HG22  VAL  75          HG23      VAL  75  -2.550  -8.230  -8.969

  No H/Q in entry =           9
  In of MODEL   24
    1    H    HIS  76           H        HIS  76   0.311  -5.618 -11.379
    2    HA   HIS  76           HA       HIS  76   2.414  -4.070 -10.352
    3    HB2  HIS  76           HB2      HIS  76   2.394  -5.374 -12.533
    4    HB3  HIS  76           HB3      HIS  76   1.513  -4.016 -13.234
    5    HD1  HIS  76           HD1      HIS  76   3.535  -3.370 -14.755
    6    HD2  HIS  76           HD2      HIS  76   4.381  -3.237 -10.676
    7    HE1  HIS  76           HE1      HIS  76   5.743  -2.153 -14.521

  No H/Q in entry =           7
  In of MODEL   24
    1    H    ALA  77           H        ALA  77  -0.531  -3.090 -12.090
    2    HA   ALA  77           HA       ALA  77   0.118  -0.312 -12.111
    3    HB2  ALA  77           HB1      ALA  77  -2.458  -0.140 -12.467
    4    HB3  ALA  77           HB2      ALA  77  -2.399  -1.900 -12.554
    5    HB1  ALA  77           HB3      ALA  77  -1.486  -0.931 -13.709

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLN  78           H        GLN  78  -1.835  -2.354  -9.948
    2    HA   GLN  78           HA       GLN  78  -2.781  -0.239  -8.317
    3    HB2  GLN  78           HB2      GLN  78  -3.630  -2.661  -8.472
    4    HB3  GLN  78           HB3      GLN  78  -2.309  -3.067  -7.376
    5    HG2  GLN  78           HG2      GLN  78  -3.157  -1.386  -5.765
    6    HG3  GLN  78           HG3      GLN  78  -4.510  -1.055  -6.845
    7   HE21  GLN  78          HE21      GLN  78  -4.402  -4.113  -7.539
    8   HE22  GLN  78          HE22      GLN  78  -5.250  -4.820  -6.250

  No H/Q in entry =           8
  In of MODEL   24
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   24
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.314   0.893 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.970   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.395   2.749 -10.752
    6    HD2  HIS  80           HD2      HIS  80   4.402  -1.164  -9.714
    7    HE1  HIS  80           HE1      HIS  80   7.531   1.389 -10.946
    8    HE2  HIS  80           HE2      HIS  80   6.937  -1.001 -10.317

  No H/Q in entry =           8
  In of MODEL   24
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   24
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   24
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   24
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   24
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   24
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   24
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   24
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   24
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   24
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   24
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   24
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   24
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   24
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   24
    1    H    PHE   9           H        PHE   9 -21.290   0.645  -3.912
    2    HA   PHE   9           HA       PHE   9 -18.529   1.540  -4.532
    3    HB2  PHE   9           HB2      PHE   9 -20.370   2.467  -2.319
    4    HB3  PHE   9           HB3      PHE   9 -18.659   2.878  -2.430
    5    HD1  PHE   9           HD1      PHE   9 -21.996   3.545  -3.689
    6    HD2  PHE   9           HD2      PHE   9 -17.811   4.170  -4.415
    7    HE1  PHE   9           HE1      PHE   9 -22.544   5.388  -5.254
    8    HE2  PHE   9           HE2      PHE   9 -18.358   6.012  -5.983
    9    HZ   PHE   9           HZ       PHE   9 -20.726   6.621  -6.403

  No H/Q in entry =           9
  In of MODEL   24
    1    H    CYS  10           H        CYS  10 -16.937   0.954  -3.194
    2    HA   CYS  10           HA       CYS  10 -17.193  -0.687  -0.847
    3    HB2  CYS  10           HB2      CYS  10 -16.120  -2.659  -1.608
    4    HB3  CYS  10           HB3      CYS  10 -17.305  -2.297  -2.866

  No H/Q in entry =           4
  In of MODEL   24
    1    H    SER  11           H        SER  11 -14.454  -1.406  -0.376
    2    HA   SER  11           HA       SER  11 -13.459   1.206  -0.009
    3    HB2  SER  11           HB2      SER  11 -11.192  -0.206   0.234
    4    HB3  SER  11           HB3      SER  11 -12.418  -0.186   1.485
    5    HG   SER  11           HG       SER  11 -13.236  -2.105   0.680

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA  12           H        ALA  12 -12.200  -1.329  -2.323
    2    HA   ALA  12           HA       ALA  12 -10.806   0.890  -3.666
    3    HB2  ALA  12           HB1      ALA  12  -9.901  -1.547  -4.718
    4    HB1  ALA  12           HB2      ALA  12 -10.079  -1.830  -2.987
    5    HB3  ALA  12           HB3      ALA  12  -9.057  -0.515  -3.564

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLY  13           H        GLY  13 -13.054  -1.774  -4.183
    2    HA3  GLY  13           HA2      GLY  13 -14.798  -1.488  -5.840
    3    HA2  GLY  13           HA3      GLY  13 -13.616  -0.679  -6.861

  No H/Q in entry =           3
  In of MODEL   24
    1    H    MET  14           H        MET  14 -12.701  -3.634  -5.150
    2    HA   MET  14           HA       MET  14 -12.532  -4.923  -7.794
    3    HB2  MET  14           HB2      MET  14 -10.457  -4.668  -6.386
    4    HB3  MET  14           HB3      MET  14 -11.173  -5.813  -5.251
    5    HG2  MET  14           HG2      MET  14 -11.523  -7.272  -7.427
    6    HG3  MET  14           HG3      MET  14 -10.213  -6.274  -8.056
    7    HE3  MET  14           HE1      MET  14  -7.841  -7.313  -7.962
    8    HE2  MET  14           HE2      MET  14  -7.119  -7.221  -6.359
    9    HE1  MET  14           HE3      MET  14  -8.064  -5.867  -6.970

  No H/Q in entry =           9
  In of MODEL   24
    1    H    SER  15           H        SER  15 -12.856  -6.281  -4.541
    2    HA   SER  15           HA       SER  15 -14.080  -8.628  -5.195
    3    HB2  SER  15           HB2      SER  15 -15.121  -7.130  -2.822
    4    HB3  SER  15           HB3      SER  15 -14.749  -8.846  -2.987
    5    HG   SER  15           HG       SER  15 -12.622  -8.407  -2.854

  No H/Q in entry =           5
  In of MODEL   24
    1    H    THR  16           H        THR  16 -15.524  -5.459  -5.455
    2    HA   THR  16           HA       THR  16 -18.206  -6.672  -5.636
    3    HB   THR  16           HB       THR  16 -17.450  -3.756  -5.948
    4    HG1  THR  16           HG1      THR  16 -18.607  -4.124  -3.664
    5   HG21  THR  16          HG21      THR  16 -20.019  -5.295  -5.626
    6   HG23  THR  16          HG22      THR  16 -19.615  -4.050  -6.809
    7   HG22  THR  16          HG23      THR  16 -19.914  -3.605  -5.129

  No H/Q in entry =           7
  In of MODEL   24
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   24
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   24
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   24
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   24
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   24
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   24
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   24
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   24
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   24
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   24
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   24
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   24
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   24
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   24
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   24
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   24
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   24
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   24
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   24
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   24
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   24
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.007
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   24
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   24
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   24
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   24
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   24
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   24
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   24
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   24
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   24
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   24
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   24
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   24
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   24
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   24
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   24
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   24
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   24
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   24
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   24
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   24
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   24
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   24
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   24
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   24
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   24
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   24
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   24
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   24
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   24
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   24
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   25
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.307 -14.316  -2.703
    4    HB3  GLU   5           HB3      GLU   5 -14.712 -13.885  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.796 -12.524  -3.708
    6    HG3  GLU   5           HG3      GLU   5 -14.307 -11.473  -2.379

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   25
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   25
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   25
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.713  -8.422   1.556
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.702   1.328
    5    HG2  MET   9           HG2      MET   9 -14.280  -6.819  -0.980
    6    HG3  MET   9           HG3      MET   9 -13.795  -8.502  -0.774
    7    HE3  MET   9           HE1      MET   9 -17.391  -6.773   0.538
    8    HE2  MET   9           HE2      MET   9 -17.835  -6.575  -1.154
    9    HE1  MET   9           HE3      MET   9 -16.320  -5.906  -0.567

  No H/Q in entry =           9
  In of MODEL   25
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   25
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.959  -4.308   1.270
    4   HG12  ILE  12          HG12      ILE  12  -9.561  -6.244   0.926
    5   HG13  ILE  12          HG13      ILE  12  -9.623  -5.360  -0.587
    6   HG21  ILE  12          HG21      ILE  12  -8.630  -2.679   0.250
    7   HG23  ILE  12          HG22      ILE  12 -10.182  -2.046   0.802
    8   HG22  ILE  12          HG23      ILE  12 -10.094  -3.052  -0.649
    9   HD13  ILE  12          HD11      ILE  12  -7.340  -5.957  -0.294
   10   HD12  ILE  12          HD12      ILE  12  -7.373  -5.536   1.409
   11   HD11  ILE  12          HD13      ILE  12  -7.439  -4.272   0.189

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.236
    4   HG12  ILE  13          HG12      ILE  13 -13.492  -3.071   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.922  -3.526   3.578
    6   HG21  ILE  13          HG21      ILE  13 -13.892  -0.661   5.446
    7   HG23  ILE  13          HG22      ILE  13 -13.742  -1.853   6.738
    8   HG22  ILE  13          HG23      ILE  13 -15.159  -1.865   5.687
    9   HD12  ILE  13          HD11      ILE  13 -14.943  -1.380   2.012
   10   HD11  ILE  13          HD12      ILE  13 -14.208  -0.625   3.420
   11   HD13  ILE  13          HD13      ILE  13 -15.795  -1.376   3.554

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   25
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   25
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   25
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   25
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   25
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   25
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   25
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   25
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   25
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   25
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   25
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   25
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   25
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   25
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   25
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   25
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.926  -6.677  10.541
    4    HB3  HIS  52           HB3      HIS  52  -1.126  -7.722  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.210 -10.032  11.895
    6    HD2  HIS  52           HD2      HIS  52   1.287  -7.296   8.941
    7    HE1  HIS  52           HE1      HIS  52   2.422 -10.830  10.954
    8    HE2  HIS  52           HE2      HIS  52   3.093  -9.171   9.151

  No H/Q in entry =           8
  In of MODEL   25
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   25
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   25
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   25
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.218  10.983
    4    HG1  THR  56           HG1      THR  56   0.064 -12.128   9.726
    5   HG23  THR  56          HG21      THR  56   0.901 -15.174  11.672
    6   HG22  THR  56          HG22      THR  56   1.849 -14.279  10.486
    7   HG21  THR  56          HG23      THR  56   0.925 -15.694   9.987

  No H/Q in entry =           7
  In of MODEL   25
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   25
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.633   4.907
    4   HG12  ILE  59          HG12      ILE  59   2.371 -16.269   3.433
    5   HG13  ILE  59          HG13      ILE  59   1.144 -15.315   2.616
    6   HG21  ILE  59          HG21      ILE  59   1.111 -16.006   6.803
    7   HG23  ILE  59          HG22      ILE  59   2.390 -15.064   6.083
    8   HG22  ILE  59          HG23      ILE  59   2.274 -16.784   5.745
    9   HD12  ILE  59          HD11      ILE  59   3.381 -14.350   4.386
   10   HD11  ILE  59          HD12      ILE  59   1.965 -13.347   4.072
   11   HD13  ILE  59          HD13      ILE  59   2.997 -13.857   2.737

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   25
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   25
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   25
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   25
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   25
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   25
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   25
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   25
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LEU  74           H        LEU  74  -4.300 -13.682  -2.344
    2    HA   LEU  74           HA       LEU  74  -3.879 -12.591   0.164
    3    HB2  LEU  74           HB2      LEU  74  -2.972 -14.728  -0.523
    4    HB3  LEU  74           HB3      LEU  74  -1.970 -13.954  -1.746
    5    HG   LEU  74           HG       LEU  74  -0.728 -12.777   0.039
    6   HD12  LEU  74          HD11      LEU  74  -1.150 -13.829   2.398
    7   HD11  LEU  74          HD12      LEU  74  -2.737 -14.231   1.748
    8   HD13  LEU  74          HD13      LEU  74  -2.223 -12.546   1.840
    9   HD21  LEU  74          HD21      LEU  74  -0.308 -15.261  -0.835
   10   HD23  LEU  74          HD22      LEU  74  -0.728 -15.678   0.817
   11   HD22  LEU  74          HD23      LEU  74   0.635 -14.611   0.504

  No H/Q in entry =          11
  In of MODEL   25
    1    H    VAL  75           H        VAL  75  -2.653 -11.579  -2.927
    2    HA   VAL  75           HA       VAL  75  -0.701  -9.752  -1.889
    3    HB   VAL  75           HB       VAL  75  -2.009  -9.860  -4.625
    4   HG11  VAL  75          HG11      VAL  75   0.154  -8.207  -3.419
    5   HG13  VAL  75          HG12      VAL  75  -0.989  -7.803  -4.699
    6   HG12  VAL  75          HG13      VAL  75   0.421  -8.796  -5.058
    7   HG22  VAL  75          HG21      VAL  75  -0.902 -11.954  -4.281
    8   HG21  VAL  75          HG22      VAL  75   0.458 -11.185  -3.464
    9   HG23  VAL  75          HG23      VAL  75   0.238 -10.970  -5.199

  No H/Q in entry =           9
  In of MODEL   25
    1    H    HIS  76           H        HIS  76  -4.308  -9.327  -3.224
    2    HA   HIS  76           HA       HIS  76  -4.636  -6.559  -3.100
    3    HB2  HIS  76           HB2      HIS  76  -6.371  -8.089  -4.009
    4    HB3  HIS  76           HB3      HIS  76  -6.725  -8.643  -2.378
    5    HD1  HIS  76           HD1      HIS  76  -6.028  -5.044  -2.366
    6    HD2  HIS  76           HD2      HIS  76  -9.407  -7.403  -3.090
    7    HE1  HIS  76           HE1      HIS  76  -8.042  -3.496  -2.211

  No H/Q in entry =           7
  In of MODEL   25
    1    H    ALA  77           H        ALA  77  -4.683  -8.958  -0.557
    2    HA   ALA  77           HA       ALA  77  -5.503  -7.070   1.490
    3    HB3  ALA  77           HB1      ALA  77  -6.213  -9.228   2.005
    4    HB2  ALA  77           HB2      ALA  77  -4.757  -9.076   2.989
    5    HB1  ALA  77           HB3      ALA  77  -4.703  -9.967   1.468

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLN  78           H        GLN  78  -2.480  -8.757   0.563
    2    HA   GLN  78           HA       GLN  78  -0.901  -7.689   2.645
    3    HB2  GLN  78           HB2      GLN  78  -0.361  -9.637   1.071
    4    HB3  GLN  78           HB3      GLN  78   0.123  -8.413  -0.102
    5    HG2  GLN  78           HG2      GLN  78   1.719  -7.490   1.552
    6    HG3  GLN  78           HG3      GLN  78   1.268  -8.764   2.682
    7   HE21  GLN  78          HE21      GLN  78   3.957  -8.582   1.805
    8   HE22  GLN  78          HE22      GLN  78   4.296  -9.899   0.790

  No H/Q in entry =           8
  In of MODEL   25
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   25
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.201   1.167
    4    HB3  HIS  80           HB3      HIS  80  -5.387  -2.811   2.205
    5    HD1  HIS  80           HD1      HIS  80  -6.748  -0.985   1.199
    6    HD2  HIS  80           HD2      HIS  80  -5.012  -3.398  -1.724
    7    HE1  HIS  80           HE1      HIS  80  -7.623  -0.149  -1.034
    8    HE2  HIS  80           HE2      HIS  80  -6.570  -1.615  -2.825

  No H/Q in entry =           8
  In of MODEL   25
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   25
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   25
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   25
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   25
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   25
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   25
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   25
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   25
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   25
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.462 -20.453  -4.430
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.874  -3.427
    5    HG2  GLU   5           HG2      GLU   5   9.901 -21.072  -2.036
    6    HG3  GLU   5           HG3      GLU   5  10.749 -19.610  -1.534

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   25
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   25
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   25
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.038 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.728 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.348 -16.606   2.257
    6    HG3  MET   9           HG3      MET   9  11.573 -17.022   0.557
    7    HE3  MET   9           HE1      MET   9  13.969 -18.305   3.757
    8    HE2  MET   9           HE2      MET   9  12.598 -19.248   4.336
    9    HE1  MET   9           HE3      MET   9  12.416 -17.517   4.057

  No H/Q in entry =           9
  In of MODEL   25
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   25
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.944   2.337
    4   HG12  ILE  12          HG12      ILE  12  10.825 -12.004   0.149
    5   HG13  ILE  12          HG13      ILE  12   9.383 -11.957   1.144
    6   HG21  ILE  12          HG21      ILE  12   9.691  -9.766   3.000
    7   HG23  ILE  12          HG22      ILE  12  10.812 -10.537   4.122
    8   HG22  ILE  12          HG23      ILE  12   9.498 -11.469   3.406
    9   HD13  ILE  12          HD11      ILE  12   9.001 -10.388  -0.592
   10   HD12  ILE  12          HD12      ILE  12  10.634  -9.754  -0.485
   11   HD11  ILE  12          HD13      ILE  12   9.475  -9.417   0.794

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.104 -11.634   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.813 -12.622   4.657
    5   HG13  ILE  13          HG13      ILE  13  15.290 -13.528   4.958
    6   HG21  ILE  13          HG21      ILE  13  16.125 -10.508   6.640
    7   HG23  ILE  13          HG22      ILE  13  17.397 -10.455   5.420
    8   HG22  ILE  13          HG23      ILE  13  17.032 -11.969   6.248
    9   HD12  ILE  13          HD11      ILE  13  13.522 -13.072   6.907
   10   HD11  ILE  13          HD12      ILE  13  14.418 -11.559   7.032
   11   HD13  ILE  13          HD13      ILE  13  15.255 -13.098   7.230

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   25
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   25
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   25
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   25
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   25
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   25
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   25
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   25
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   25
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   25
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   25
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   25
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   25
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   25
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   25
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   25
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.287  -1.676  -5.700
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.624
    5    HD1  HIS  52           HD1      HIS  52  17.525  -1.965  -9.273
    6    HD2  HIS  52           HD2      HIS  52  14.030  -1.003  -7.213
    7    HE1  HIS  52           HE1      HIS  52  15.889  -1.102 -11.002
    8    HE2  HIS  52           HE2      HIS  52  13.754  -0.510  -9.763

  No H/Q in entry =           8
  In of MODEL   25
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   25
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   25
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   25
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.061
    4    HG1  THR  56           HG1      THR  56  15.924  -4.050 -10.760
    5   HG23  THR  56          HG21      THR  56  17.772  -4.154 -13.978
    6   HG22  THR  56          HG22      THR  56  16.188  -3.483 -13.596
    7   HG21  THR  56          HG23      THR  56  16.318  -5.108 -14.264

  No H/Q in entry =           7
  In of MODEL   25
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   25
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.833  -7.164 -12.525
    4   HG12  ILE  59          HG12      ILE  59   9.893  -7.055 -14.846
    5   HG13  ILE  59          HG13      ILE  59   9.519  -7.834 -13.316
    6   HG21  ILE  59          HG21      ILE  59  13.410  -6.450 -14.294
    7   HG23  ILE  59          HG22      ILE  59  12.104  -5.313 -14.089
    8   HG22  ILE  59          HG23      ILE  59  12.097  -6.414 -15.458
    9   HD12  ILE  59          HD11      ILE  59  10.063  -4.921 -13.837
   10   HD11  ILE  59          HD12      ILE  59  10.219  -5.603 -12.219
   11   HD13  ILE  59          HD13      ILE  59   8.665  -5.651 -13.050

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   25
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   25
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   25
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   25
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   25
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   25
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   25
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   25
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LEU  74           H        LEU  74   7.001 -13.172  -8.612
    2    HA   LEU  74           HA       LEU  74   8.953 -11.252  -8.154
    3    HB2  LEU  74           HB2      LEU  74   8.290 -11.954 -10.373
    4    HB3  LEU  74           HB3      LEU  74   6.663 -11.331 -10.129
    5    HG   LEU  74           HG       LEU  74   7.586  -9.041  -9.948
    6   HD12  LEU  74          HD11      LEU  74  10.039  -8.895 -10.855
    7   HD11  LEU  74          HD12      LEU  74  10.162 -10.562 -10.295
    8   HD13  LEU  74          HD13      LEU  74   9.784  -9.273  -9.153
    9   HD21  LEU  74          HD21      LEU  74   6.993 -10.359 -12.188
   10   HD23  LEU  74          HD22      LEU  74   8.714 -10.193 -12.484
   11   HD22  LEU  74          HD23      LEU  74   7.723  -8.757 -12.260

  No H/Q in entry =          11
  In of MODEL   25
    1    H    VAL  75           H        VAL  75   5.483 -11.042  -7.831
    2    HA   VAL  75           HA       VAL  75   5.358  -8.240  -7.315
    3    HB   VAL  75           HB       VAL  75   3.442 -10.462  -6.541
    4   HG11  VAL  75          HG11      VAL  75   3.371  -7.488  -6.261
    5   HG13  VAL  75          HG12      VAL  75   2.698  -8.730  -5.205
    6   HG12  VAL  75          HG13      VAL  75   1.875  -8.309  -6.707
    7   HG22  VAL  75          HG21      VAL  75   3.590 -10.424  -8.923
    8   HG21  VAL  75          HG22      VAL  75   3.687  -8.665  -8.968
    9   HG23  VAL  75          HG23      VAL  75   2.169  -9.452  -8.543

  No H/Q in entry =           9
  In of MODEL   25
    1    H    HIS  76           H        HIS  76   5.574 -11.176  -5.129
    2    HA   HIS  76           HA       HIS  76   5.310  -9.904  -2.656
    3    HB2  HIS  76           HB2      HIS  76   5.466 -12.398  -3.065
    4    HB3  HIS  76           HB3      HIS  76   7.213 -12.188  -3.200
    5    HD1  HIS  76           HD1      HIS  76   5.396 -10.006  -0.799
    6    HD2  HIS  76           HD2      HIS  76   7.546 -13.576  -0.679
    7    HE1  HIS  76           HE1      HIS  76   5.879 -10.469   1.643

  No H/Q in entry =           7
  In of MODEL   25
    1    H    ALA  77           H        ALA  77   8.213 -10.426  -4.637
    2    HA   ALA  77           HA       ALA  77   9.987  -9.133  -2.806
    3    HB1  ALA  77           HB1      ALA  77  11.113 -10.524  -4.285
    4    HB3  ALA  77           HB2      ALA  77  11.396  -8.945  -5.016
    5    HB2  ALA  77           HB3      ALA  77  10.152 -10.008  -5.672

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLN  78           H        GLN  78   8.181  -8.064  -5.669
    2    HA   GLN  78           HA       GLN  78   9.289  -5.460  -5.794
    3    HB2  GLN  78           HB2      GLN  78   7.911  -6.706  -7.567
    4    HB3  GLN  78           HB3      GLN  78   6.491  -6.200  -6.653
    5    HG2  GLN  78           HG2      GLN  78   7.211  -3.842  -6.868
    6    HG3  GLN  78           HG3      GLN  78   8.593  -4.363  -7.830
    7   HE21  GLN  78          HE21      GLN  78   6.684  -2.607  -8.974
    8   HE22  GLN  78          HE22      GLN  78   5.816  -3.443 -10.170

  No H/Q in entry =           8
  In of MODEL   25
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   25
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.158  -7.456  -0.515
    4    HB3  HIS  80           HB3      HIS  80  10.043  -6.566   0.726
    5    HD1  HIS  80           HD1      HIS  80   9.439  -7.069   3.087
    6    HD2  HIS  80           HD2      HIS  80   6.426  -8.228   0.448
    7    HE1  HIS  80           HE1      HIS  80   7.667  -8.236   4.484
    8    HE2  HIS  80           HE2      HIS  80   5.825  -8.947   2.885

  No H/Q in entry =           8
  In of MODEL   25
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   25
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   25
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   25
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   25
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   25
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   25
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   25
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   25
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   25
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.072  -6.372 -21.769
    4    HB3  GLU   5           HB3      GLU   5   0.464  -5.123 -22.951
    5    HG2  GLU   5           HG2      GLU   5   2.545  -6.107 -22.259
    6    HG3  GLU   5           HG3      GLU   5   2.455  -4.517 -21.508

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   25
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   25
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   25
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.886   0.440 -21.001
    4    HB3  MET   9           HB3      MET   9   4.429   1.166 -20.550
    5    HG2  MET   9           HG2      MET   9   5.218  -0.961 -19.658
    6    HG3  MET   9           HG3      MET   9   3.648  -1.704 -19.965
    7    HE3  MET   9           HE1      MET   9   5.735   0.790 -22.608
    8    HE2  MET   9           HE2      MET   9   6.960  -0.468 -22.762
    9    HE1  MET   9           HE3      MET   9   6.536   0.150 -21.167

  No H/Q in entry =           9
  In of MODEL   25
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   25
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.497   1.700 -15.884
    4   HG12  ILE  12          HG12      ILE  12   2.890   0.099 -15.265
    5   HG13  ILE  12          HG13      ILE  12   4.366  -0.537 -14.569
    6   HG21  ILE  12          HG21      ILE  12   5.601   1.595 -13.067
    7   HG23  ILE  12          HG22      ILE  12   6.266   2.506 -14.423
    8   HG22  ILE  12          HG23      ILE  12   6.285   0.744 -14.451
    9   HD13  ILE  12          HD11      ILE  12   2.721  -0.753 -12.875
   10   HD12  ILE  12          HD12      ILE  12   2.066   0.844 -13.197
   11   HD11  ILE  12          HD13      ILE  12   3.641   0.676 -12.432

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.813 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.823   3.927 -17.793
    5   HG13  ILE  13          HG13      ILE  13   5.625   4.708 -19.359
    6   HG21  ILE  13          HG21      ILE  13   6.370   7.577 -17.390
    7   HG23  ILE  13          HG22      ILE  13   4.743   8.042 -17.889
    8   HG22  ILE  13          HG23      ILE  13   5.860   7.347 -19.063
    9   HD12  ILE  13          HD11      ILE  13   8.036   4.421 -18.242
   10   HD11  ILE  13          HD12      ILE  13   7.569   5.920 -17.441
   11   HD13  ILE  13          HD13      ILE  13   7.631   5.844 -19.201

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   25
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   25
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   25
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   25
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   25
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   25
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   25
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   25
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   25
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   25
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   25
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   25
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   25
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   25
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   25
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   25
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.076   7.012  -8.736
    4    HB3  HIS  52           HB3      HIS  52  -7.505   7.706  -9.500
    5    HD1  HIS  52           HD1      HIS  52  -9.761   6.307  -9.260
    6    HD2  HIS  52           HD2      HIS  52  -6.618   5.023  -6.842
    7    HE1  HIS  52           HE1      HIS  52 -10.778   4.786  -7.516
    8    HE2  HIS  52           HE2      HIS  52  -8.877   3.998  -6.026

  No H/Q in entry =           8
  In of MODEL   25
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   25
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   25
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   25
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.895   3.591 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.155   3.412 -10.058
    5   HG23  THR  56          HG21      THR  56 -13.821   3.362 -10.854
    6   HG22  THR  56          HG22      THR  56 -12.947   2.775  -9.440
    7   HG21  THR  56          HG23      THR  56 -13.305   1.678 -10.772

  No H/Q in entry =           7
  In of MODEL   25
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   25
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.658  -1.978 -10.403
    4   HG12  ILE  59          HG12      ILE  59 -10.948  -4.339  -9.027
    5   HG13  ILE  59          HG13      ILE  59  -9.336  -4.417  -9.720
    6   HG23  ILE  59          HG21      ILE  59 -11.894  -1.086 -10.315
    7   HG22  ILE  59          HG22      ILE  59 -11.501  -1.680  -8.723
    8   HG21  ILE  59          HG23      ILE  59 -12.558  -2.615  -9.768
    9   HD12  ILE  59          HD11      ILE  59 -10.306  -2.781  -7.403
   10   HD11  ILE  59          HD12      ILE  59  -8.917  -2.233  -8.339
   11   HD13  ILE  59          HD13      ILE  59  -8.867  -3.794  -7.521

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   25
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   25
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   25
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   25
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   25
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   25
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   25
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   25
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LEU  74           H        LEU  74  -3.308  -7.016 -13.421
    2    HA   LEU  74           HA       LEU  74  -3.958  -4.388 -12.836
    3    HB2  LEU  74           HB2      LEU  74  -5.591  -6.181 -12.860
    4    HB3  LEU  74           HB3      LEU  74  -4.790  -6.985 -11.515
    5    HG   LEU  74           HG       LEU  74  -5.330  -5.055 -10.062
    6   HD12  LEU  74          HD11      LEU  74  -7.175  -3.520 -11.114
    7   HD11  LEU  74          HD12      LEU  74  -6.478  -4.033 -12.650
    8   HD13  LEU  74          HD13      LEU  74  -5.482  -3.184 -11.469
    9   HD21  LEU  74          HD21      LEU  74  -6.922  -7.111 -10.651
   10   HD23  LEU  74          HD22      LEU  74  -7.917  -5.855 -11.367
   11   HD22  LEU  74          HD23      LEU  74  -7.511  -5.781  -9.657

  No H/Q in entry =          11
  In of MODEL   25
    1    H    VAL  75           H        VAL  75  -2.291  -6.753 -10.891
    2    HA   VAL  75           HA       VAL  75  -2.150  -5.200  -8.503
    3    HB   VAL  75           HB       VAL  75  -0.361  -7.456  -9.447
    4   HG11  VAL  75          HG11      VAL  75  -0.548  -5.865  -6.921
    5   HG13  VAL  75          HG12      VAL  75   0.872  -6.553  -7.709
    6   HG12  VAL  75          HG13      VAL  75  -0.215  -7.592  -6.788
    7   HG22  VAL  75          HG21      VAL  75  -2.596  -8.306  -9.279
    8   HG21  VAL  75          HG22      VAL  75  -2.923  -7.363  -7.825
    9   HG23  VAL  75          HG23      VAL  75  -1.818  -8.734  -7.756

  No H/Q in entry =           9
  In of MODEL   25
    1    H    HIS  76           H        HIS  76   0.124  -5.635 -11.338
    2    HA   HIS  76           HA       HIS  76   2.298  -4.166 -10.387
    3    HB2  HIS  76           HB2      HIS  76   2.190  -5.472 -12.550
    4    HB3  HIS  76           HB3      HIS  76   1.322  -4.104 -13.246
    5    HD1  HIS  76           HD1      HIS  76   3.888  -3.254 -10.727
    6    HD2  HIS  76           HD2      HIS  76   3.702  -3.621 -14.875
    7    HE1  HIS  76           HE1      HIS  76   5.968  -2.134 -11.639

  No H/Q in entry =           7
  In of MODEL   25
    1    H    ALA  77           H        ALA  77  -0.606  -3.051 -12.095
    2    HA   ALA  77           HA       ALA  77   0.152  -0.294 -12.088
    3    HB2  ALA  77           HB1      ALA  77  -1.451  -0.766 -13.703
    4    HB3  ALA  77           HB2      ALA  77  -2.446  -0.061 -12.430
    5    HB1  ALA  77           HB3      ALA  77  -2.383  -1.811 -12.631

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLN  78           H        GLN  78  -1.844  -2.318  -9.962
    2    HA   GLN  78           HA       GLN  78  -2.776  -0.216  -8.309
    3    HB2  GLN  78           HB2      GLN  78  -3.642  -2.626  -8.482
    4    HB3  GLN  78           HB3      GLN  78  -2.315  -3.058  -7.403
    5    HG2  GLN  78           HG2      GLN  78  -3.136  -1.400  -5.759
    6    HG3  GLN  78           HG3      GLN  78  -4.491  -1.033  -6.823
    7   HE21  GLN  78          HE21      GLN  78  -4.996  -2.051  -4.225
    8   HE22  GLN  78          HE22      GLN  78  -5.604  -3.630  -4.361

  No H/Q in entry =           8
  In of MODEL   25
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   25
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.323   0.881 -10.473
    4    HB3  HIS  80           HB3      HIS  80   2.955   2.518 -10.295
    5    HD1  HIS  80           HD1      HIS  80   5.399   2.799 -10.655
    6    HD2  HIS  80           HD2      HIS  80   4.419  -1.162  -9.804
    7    HE1  HIS  80           HE1      HIS  80   7.549   1.464 -10.870
    8    HE2  HIS  80           HE2      HIS  80   6.963  -0.954 -10.354

  No H/Q in entry =           8
  In of MODEL   25
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   25
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   25
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   25
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   25
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   25
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   25
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   25
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   25
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   25
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   25
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   25
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   25
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   25
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   25
    1    H    PHE   9           H        PHE   9 -21.277   0.636  -3.904
    2    HA   PHE   9           HA       PHE   9 -18.519   1.528  -4.542
    3    HB2  PHE   9           HB2      PHE   9 -20.335   2.447  -2.306
    4    HB3  PHE   9           HB3      PHE   9 -18.627   2.862  -2.441
    5    HD1  PHE   9           HD1      PHE   9 -21.986   3.484  -3.694
    6    HD2  PHE   9           HD2      PHE   9 -17.810   4.202  -4.388
    7    HE1  PHE   9           HE1      PHE   9 -22.562   5.329  -5.246
    8    HE2  PHE   9           HE2      PHE   9 -18.386   6.047  -5.943
    9    HZ   PHE   9           HZ       PHE   9 -20.762   6.611  -6.372

  No H/Q in entry =           9
  In of MODEL   25
    1    H    CYS  10           H        CYS  10 -16.903   0.914  -3.221
    2    HA   CYS  10           HA       CYS  10 -17.180  -0.756  -0.889
    3    HB2  CYS  10           HB2      CYS  10 -16.126  -2.717  -1.672
    4    HB3  CYS  10           HB3      CYS  10 -17.253  -2.310  -2.970

  No H/Q in entry =           4
  In of MODEL   25
    1    H    SER  11           H        SER  11 -14.464  -1.448  -0.346
    2    HA   SER  11           HA       SER  11 -13.463   1.148   0.040
    3    HB2  SER  11           HB2      SER  11 -12.566  -0.449   1.501
    4    HB3  SER  11           HB3      SER  11 -12.166  -1.557   0.206
    5    HG   SER  11           HG       SER  11 -10.608  -0.019  -0.499

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA  12           H        ALA  12 -12.193  -1.341  -2.299
    2    HA   ALA  12           HA       ALA  12 -10.802   0.893  -3.618
    3    HB2  ALA  12           HB1      ALA  12  -9.934  -1.547  -4.713
    4    HB1  ALA  12           HB2      ALA  12 -10.081  -1.832  -2.979
    5    HB3  ALA  12           HB3      ALA  12  -9.061  -0.523  -3.574

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLY  13           H        GLY  13 -12.901  -1.890  -4.246
    2    HA3  GLY  13           HA2      GLY  13 -14.722  -1.508  -5.862
    3    HA2  GLY  13           HA3      GLY  13 -13.526  -0.722  -6.885

  No H/Q in entry =           3
  In of MODEL   25
    1    H    MET  14           H        MET  14 -12.677  -3.685  -5.148
    2    HA   MET  14           HA       MET  14 -12.499  -4.984  -7.788
    3    HB2  MET  14           HB2      MET  14 -10.434  -4.736  -6.354
    4    HB3  MET  14           HB3      MET  14 -11.167  -5.887  -5.236
    5    HG2  MET  14           HG2      MET  14 -11.348  -7.542  -7.066
    6    HG3  MET  14           HG3      MET  14 -10.598  -6.395  -8.174
    7    HE2  MET  14           HE1      MET  14  -8.356  -7.868  -8.824
    8    HE1  MET  14           HE2      MET  14  -9.578  -8.968  -8.194
    9    HE3  MET  14           HE3      MET  14  -7.909  -9.114  -7.652

  No H/Q in entry =           9
  In of MODEL   25
    1    H    SER  15           H        SER  15 -12.848  -6.339  -4.536
    2    HA   SER  15           HA       SER  15 -14.098  -8.670  -5.212
    3    HB2  SER  15           HB2      SER  15 -13.447  -7.759  -2.872
    4    HB3  SER  15           HB3      SER  15 -15.108  -7.167  -2.825
    5    HG   SER  15           HG       SER  15 -14.443  -9.823  -3.540

  No H/Q in entry =           5
  In of MODEL   25
    1    H    THR  16           H        THR  16 -15.513  -5.475  -5.467
    2    HA   THR  16           HA       THR  16 -18.200  -6.684  -5.636
    3    HB   THR  16           HB       THR  16 -17.442  -3.768  -5.944
    4    HG1  THR  16           HG1      THR  16 -18.301  -3.760  -3.715
    5   HG21  THR  16          HG21      THR  16 -20.009  -5.308  -5.623
    6   HG23  THR  16          HG22      THR  16 -19.610  -4.051  -6.796
    7   HG22  THR  16          HG23      THR  16 -19.905  -3.623  -5.110

  No H/Q in entry =           7
  In of MODEL   25
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   25
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   25
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   25
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   25
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   25
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   25
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   25
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   25
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   25
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   25
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   25
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   25
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   25
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   25
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   25
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   25
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   25
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   25
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   25
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   25
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   25
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   25
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   25
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   25
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   25
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   25
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   25
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   25
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   25
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   25
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   25
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   25
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   25
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   25
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   25
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   25
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   25
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   25
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   25
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   25
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   25
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   25
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   25
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   25
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   25
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   25
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   25
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   25
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   25
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   25
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   25
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   26
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.287 -14.281  -2.730
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.930  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.580 -11.561  -2.351
    6    HG3  GLU   5           HG3      GLU   5 -13.138 -11.870  -3.318

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   26
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   26
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   26
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.704  -8.438   1.534
    4    HB3  MET   9           HB3      MET   9 -15.031  -6.714   1.354
    5    HG2  MET   9           HG2      MET   9 -14.209  -6.790  -0.965
    6    HG3  MET   9           HG3      MET   9 -13.865  -8.511  -0.791
    7    HE3  MET   9           HE1      MET   9 -17.855  -6.374  -0.558
    8    HE2  MET   9           HE2      MET   9 -16.816  -6.017  -1.934
    9    HE1  MET   9           HE3      MET   9 -16.215  -5.771  -0.302

  No H/Q in entry =           9
  In of MODEL   26
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   26
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.382   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.253  -6.175   0.967
    5   HG13  ILE  12          HG13      ILE  12  -9.697  -5.422  -0.552
    6   HG23  ILE  12          HG21      ILE  12 -10.273  -2.966  -0.585
    7   HG22  ILE  12          HG22      ILE  12  -8.738  -2.610   0.210
    8   HG21  ILE  12          HG23      ILE  12 -10.260  -2.060   0.922
    9   HD12  ILE  12          HD11      ILE  12  -7.163  -5.021   1.046
   10   HD11  ILE  12          HD12      ILE  12  -7.634  -3.973  -0.281
   11   HD13  ILE  12          HD13      ILE  12  -7.340  -5.682  -0.572

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.236
    4   HG12  ILE  13          HG12      ILE  13 -13.492  -3.076   2.667
    5   HG13  ILE  13          HG13      ILE  13 -14.923  -3.525   3.579
    6   HG21  ILE  13          HG21      ILE  13 -13.923  -0.662   5.422
    7   HG23  ILE  13          HG22      ILE  13 -13.717  -1.826   6.731
    8   HG22  ILE  13          HG23      ILE  13 -15.156  -1.889   5.713
    9   HD12  ILE  13          HD11      ILE  13 -14.933  -1.381   2.008
   10   HD11  ILE  13          HD12      ILE  13 -14.205  -0.626   3.419
   11   HD13  ILE  13          HD13      ILE  13 -15.794  -1.376   3.545

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   26
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   26
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   26
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   26
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   26
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   26
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   26
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   26
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   26
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   26
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   26
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   26
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   26
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   26
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   26
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   26
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.932  -6.675  10.548
    4    HB3  HIS  52           HB3      HIS  52  -1.122  -7.730  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.244 -10.011  11.902
    6    HD2  HIS  52           HD2      HIS  52   1.257  -7.296   8.906
    7    HE1  HIS  52           HE1      HIS  52   2.450 -10.799  10.938
    8    HE2  HIS  52           HE2      HIS  52   3.082  -9.153   9.110

  No H/Q in entry =           8
  In of MODEL   26
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   26
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   26
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   26
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.097 -14.215  10.983
    4    HG1  THR  56           HG1      THR  56   0.863 -12.391  10.060
    5   HG22  THR  56          HG21      THR  56   1.853 -14.288  10.510
    6   HG21  THR  56          HG22      THR  56   0.931 -15.695   9.984
    7   HG23  THR  56          HG23      THR  56   0.873 -15.183  11.670

  No H/Q in entry =           7
  In of MODEL   26
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   26
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.635   4.917
    4   HG12  ILE  59          HG12      ILE  59   2.369 -16.254   3.422
    5   HG13  ILE  59          HG13      ILE  59   1.128 -15.307   2.615
    6   HG22  ILE  59          HG21      ILE  59   2.285 -16.767   5.711
    7   HG21  ILE  59          HG22      ILE  59   1.102 -16.076   6.789
    8   HG23  ILE  59          HG23      ILE  59   2.376 -15.065   6.125
    9   HD13  ILE  59          HD11      ILE  59   2.972 -13.837   2.726
   10   HD12  ILE  59          HD12      ILE  59   3.367 -14.329   4.372
   11   HD11  ILE  59          HD13      ILE  59   1.944 -13.335   4.068

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   26
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   26
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   26
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   26
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   26
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   26
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   26
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   26
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LEU  74           H        LEU  74  -4.267 -13.667  -2.363
    2    HA   LEU  74           HA       LEU  74  -3.855 -12.543   0.146
    3    HB2  LEU  74           HB2      LEU  74  -2.966 -14.700  -0.497
    4    HB3  LEU  74           HB3      LEU  74  -1.966 -13.961  -1.742
    5    HG   LEU  74           HG       LEU  74  -0.699 -12.758   0.003
    6   HD12  LEU  74          HD11      LEU  74  -1.112 -13.703   2.394
    7   HD11  LEU  74          HD12      LEU  74  -2.697 -14.160   1.774
    8   HD13  LEU  74          HD13      LEU  74  -2.212 -12.464   1.791
    9   HD21  LEU  74          HD21      LEU  74  -0.324 -15.278  -0.798
   10   HD23  LEU  74          HD22      LEU  74  -0.728 -15.631   0.872
   11   HD22  LEU  74          HD23      LEU  74   0.645 -14.594   0.504

  No H/Q in entry =          11
  In of MODEL   26
    1    H    VAL  75           H        VAL  75  -2.637 -11.596  -2.972
    2    HA   VAL  75           HA       VAL  75  -0.669  -9.761  -1.978
    3    HB   VAL  75           HB       VAL  75  -1.967  -9.660  -4.707
    4   HG11  VAL  75          HG11      VAL  75   0.623  -8.759  -3.478
    5   HG13  VAL  75          HG12      VAL  75  -0.485  -7.864  -4.518
    6   HG12  VAL  75          HG13      VAL  75   0.552  -9.113  -5.203
    7   HG23  VAL  75          HG21      VAL  75  -0.149 -11.279  -5.400
    8   HG22  VAL  75          HG22      VAL  75  -1.381 -11.993  -4.361
    9   HG21  VAL  75          HG23      VAL  75   0.184 -11.545  -3.689

  No H/Q in entry =           9
  In of MODEL   26
    1    H    HIS  76           H        HIS  76  -4.293  -9.358  -3.264
    2    HA   HIS  76           HA       HIS  76  -4.600  -6.575  -3.172
    3    HB2  HIS  76           HB2      HIS  76  -6.333  -8.124  -4.079
    4    HB3  HIS  76           HB3      HIS  76  -6.713  -8.632  -2.438
    5    HD1  HIS  76           HD1      HIS  76  -5.962  -5.006  -2.770
    6    HD2  HIS  76           HD2      HIS  76  -9.379  -7.415  -2.955
    7    HE1  HIS  76           HE1      HIS  76  -7.964  -3.442  -2.609

  No H/Q in entry =           7
  In of MODEL   26
    1    H    ALA  77           H        ALA  77  -4.674  -8.971  -0.626
    2    HA   ALA  77           HA       ALA  77  -5.517  -7.087   1.412
    3    HB3  ALA  77           HB1      ALA  77  -6.222  -9.260   1.896
    4    HB2  ALA  77           HB2      ALA  77  -4.800  -9.083   2.924
    5    HB1  ALA  77           HB3      ALA  77  -4.685  -9.979   1.409

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLN  78           H        GLN  78  -2.468  -8.765   0.536
    2    HA   GLN  78           HA       GLN  78  -0.937  -7.683   2.646
    3    HB2  GLN  78           HB2      GLN  78  -0.343  -9.637   1.118
    4    HB3  GLN  78           HB3      GLN  78   0.126  -8.434  -0.081
    5    HG2  GLN  78           HG2      GLN  78   1.708  -7.451   1.547
    6    HG3  GLN  78           HG3      GLN  78   1.266  -8.694   2.715
    7   HE21  GLN  78          HE21      GLN  78   3.957  -8.506   1.834
    8   HE22  GLN  78          HE22      GLN  78   4.313  -9.854   0.866

  No H/Q in entry =           8
  In of MODEL   26
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   26
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.176
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.803   2.201
    5    HD1  HIS  80           HD1      HIS  80  -6.715  -0.959   1.174
    6    HD2  HIS  80           HD2      HIS  80  -5.039  -3.450  -1.719
    7    HE1  HIS  80           HE1      HIS  80  -7.593  -0.148  -1.067
    8    HE2  HIS  80           HE2      HIS  80  -6.577  -1.662  -2.839

  No H/Q in entry =           8
  In of MODEL   26
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   26
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   26
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   26
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   26
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   26
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   26
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   26
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   26
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   26
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.422 -20.431  -4.408
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.477
    5    HG2  GLU   5           HG2      GLU   5  10.903 -19.851  -1.469
    6    HG3  GLU   5           HG3      GLU   5   9.490 -19.328  -2.385

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   26
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   26
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   26
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.029 -16.710   0.851
    4    HB3  MET   9           HB3      MET   9  13.739 -16.162   2.502
    5    HG2  MET   9           HG2      MET   9  11.325 -16.552   2.222
    6    HG3  MET   9           HG3      MET   9  11.599 -17.081   0.561
    7    HE3  MET   9           HE1      MET   9  13.103 -18.927   4.414
    8    HE2  MET   9           HE2      MET   9  11.375 -18.595   4.315
    9    HE1  MET   9           HE3      MET   9  12.533 -17.291   4.066

  No H/Q in entry =           9
  In of MODEL   26
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   26
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.312
    4   HG12  ILE  12          HG12      ILE  12  10.852 -11.575  -0.010
    5   HG13  ILE  12          HG13      ILE  12   9.629 -12.250   1.047
    6   HG22  ILE  12          HG21      ILE  12   9.514 -11.476   3.426
    7   HG21  ILE  12          HG22      ILE  12   9.732  -9.764   3.063
    8   HG23  ILE  12          HG23      ILE  12  10.861 -10.589   4.136
    9   HD12  ILE  12          HD11      ILE  12   9.873  -9.411   0.053
   10   HD11  ILE  12          HD12      ILE  12   8.819  -9.860   1.381
   11   HD13  ILE  12          HD13      ILE  12   8.566 -10.554  -0.214

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.105 -11.633   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.815 -12.625   4.649
    5   HG13  ILE  13          HG13      ILE  13  15.293 -13.528   4.962
    6   HG21  ILE  13          HG21      ILE  13  16.116 -10.541   6.658
    7   HG23  ILE  13          HG22      ILE  13  17.376 -10.425   5.431
    8   HG22  ILE  13          HG23      ILE  13  17.057 -11.968   6.224
    9   HD12  ILE  13          HD11      ILE  13  13.507 -13.059   6.898
   10   HD11  ILE  13          HD12      ILE  13  14.418 -11.557   7.028
   11   HD13  ILE  13          HD13      ILE  13  15.237 -13.104   7.231

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   26
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   26
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   26
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   26
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   26
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   26
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   26
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   26
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   26
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   26
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   26
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   26
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   26
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   26
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   26
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   26
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.295  -1.676  -5.695
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.633
    5    HD1  HIS  52           HD1      HIS  52  17.513  -1.927  -9.274
    6    HD2  HIS  52           HD2      HIS  52  14.012  -1.038  -7.193
    7    HE1  HIS  52           HE1      HIS  52  15.858  -1.073 -10.990
    8    HE2  HIS  52           HE2      HIS  52  13.718  -0.525  -9.737

  No H/Q in entry =           8
  In of MODEL   26
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   26
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   26
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   26
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.454 -12.059
    4    HG1  THR  56           HG1      THR  56  15.933  -3.442 -11.432
    5   HG22  THR  56          HG21      THR  56  16.205  -3.473 -13.604
    6   HG21  THR  56          HG22      THR  56  16.311  -5.103 -14.267
    7   HG23  THR  56          HG23      THR  56  17.779  -4.177 -13.970

  No H/Q in entry =           7
  In of MODEL   26
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   26
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.843  -7.160 -12.528
    4   HG12  ILE  59          HG12      ILE  59   9.881  -7.053 -14.829
    5   HG13  ILE  59          HG13      ILE  59   9.524  -7.844 -13.301
    6   HG22  ILE  59          HG21      ILE  59  12.052  -6.407 -15.445
    7   HG21  ILE  59          HG22      ILE  59  13.411  -6.503 -14.355
    8   HG23  ILE  59          HG23      ILE  59  12.155  -5.306 -14.082
    9   HD13  ILE  59          HD11      ILE  59   8.663  -5.663 -13.019
   10   HD12  ILE  59          HD12      ILE  59  10.058  -4.925 -13.806
   11   HD11  ILE  59          HD13      ILE  59  10.220  -5.619 -12.193

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   26
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   26
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   26
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   26
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   26
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   26
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   26
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   26
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LEU  74           H        LEU  74   6.976 -13.148  -8.611
    2    HA   LEU  74           HA       LEU  74   8.918 -11.210  -8.121
    3    HB2  LEU  74           HB2      LEU  74   8.304 -11.923 -10.352
    4    HB3  LEU  74           HB3      LEU  74   6.663 -11.325 -10.135
    5    HG   LEU  74           HG       LEU  74   7.543  -9.021  -9.943
    6   HD12  LEU  74          HD11      LEU  74  10.002  -8.801 -10.763
    7   HD11  LEU  74          HD12      LEU  74  10.160 -10.485 -10.269
    8   HD13  LEU  74          HD13      LEU  74   9.729  -9.254  -9.083
    9   HD21  LEU  74          HD21      LEU  74   7.033 -10.363 -12.195
   10   HD23  LEU  74          HD22      LEU  74   8.755 -10.144 -12.450
   11   HD22  LEU  74          HD23      LEU  74   7.715  -8.740 -12.249

  No H/Q in entry =          11
  In of MODEL   26
    1    H    VAL  75           H        VAL  75   5.432 -11.045  -7.865
    2    HA   VAL  75           HA       VAL  75   5.258  -8.249  -7.345
    3    HB   VAL  75           HB       VAL  75   3.324 -10.357  -6.362
    4   HG11  VAL  75          HG11      VAL  75   3.196  -7.414  -6.996
    5   HG13  VAL  75          HG12      VAL  75   2.667  -8.253  -5.538
    6   HG12  VAL  75          HG13      VAL  75   1.736  -8.404  -7.027
    7   HG23  VAL  75          HG21      VAL  75   2.182 -10.003  -8.601
    8   HG22  VAL  75          HG22      VAL  75   3.714 -10.870  -8.700
    9   HG21  VAL  75          HG23      VAL  75   3.639  -9.164  -9.135

  No H/Q in entry =           9
  In of MODEL   26
    1    H    HIS  76           H        HIS  76   5.507 -11.176  -5.150
    2    HA   HIS  76           HA       HIS  76   5.223  -9.876  -2.686
    3    HB2  HIS  76           HB2      HIS  76   5.333 -12.366  -3.037
    4    HB3  HIS  76           HB3      HIS  76   7.080 -12.201  -3.224
    5    HD1  HIS  76           HD1      HIS  76   5.189 -10.066  -0.785
    6    HD2  HIS  76           HD2      HIS  76   7.644 -13.435  -0.714
    7    HE1  HIS  76           HE1      HIS  76   5.779 -10.471   1.644

  No H/Q in entry =           7
  In of MODEL   26
    1    H    ALA  77           H        ALA  77   8.133 -10.451  -4.646
    2    HA   ALA  77           HA       ALA  77   9.919  -9.190  -2.812
    3    HB1  ALA  77           HB1      ALA  77  11.011 -10.602  -4.303
    4    HB3  ALA  77           HB2      ALA  77  11.348  -9.019  -5.002
    5    HB2  ALA  77           HB3      ALA  77  10.080 -10.033  -5.690

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLN  78           H        GLN  78   8.143  -8.064  -5.679
    2    HA   GLN  78           HA       GLN  78   9.308  -5.481  -5.765
    3    HB2  GLN  78           HB2      GLN  78   7.956  -6.661  -7.584
    4    HB3  GLN  78           HB3      GLN  78   6.517  -6.191  -6.680
    5    HG2  GLN  78           HG2      GLN  78   7.210  -3.825  -6.824
    6    HG3  GLN  78           HG3      GLN  78   8.624  -4.301  -7.761
    7   HE21  GLN  78          HE21      GLN  78   6.729  -2.540  -8.914
    8   HE22  GLN  78          HE22      GLN  78   5.902  -3.354 -10.153

  No H/Q in entry =           8
  In of MODEL   26
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   26
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.169  -7.451  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.038  -6.564   0.737
    5    HD1  HIS  80           HD1      HIS  80   9.403  -7.065   3.092
    6    HD2  HIS  80           HD2      HIS  80   6.439  -8.254   0.411
    7    HE1  HIS  80           HE1      HIS  80   7.624  -8.250   4.465
    8    HE2  HIS  80           HE2      HIS  80   5.811  -8.979   2.840

  No H/Q in entry =           8
  In of MODEL   26
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   26
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   26
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   26
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   26
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   26
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   26
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   26
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   26
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   26
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.105  -6.381 -21.732
    4    HB3  GLU   5           HB3      GLU   5   0.421  -5.149 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.484  -4.498 -21.799
    6    HG3  GLU   5           HG3      GLU   5   2.164  -5.675 -20.528

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   26
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   26
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   26
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.883   0.424 -20.998
    4    HB3  MET   9           HB3      MET   9   4.418   1.175 -20.556
    5    HG2  MET   9           HG2      MET   9   5.197  -0.957 -19.602
    6    HG3  MET   9           HG3      MET   9   3.659  -1.712 -20.021
    7    HE3  MET   9           HE1      MET   9   6.783   0.087 -22.759
    8    HE2  MET   9           HE2      MET   9   7.353  -1.091 -21.578
    9    HE1  MET   9           HE3      MET   9   6.476   0.338 -21.035

  No H/Q in entry =           9
  In of MODEL   26
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   26
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.477   1.687 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.668   0.277 -14.897
    5   HG13  ILE  12          HG13      ILE  12   4.215  -0.542 -14.950
    6   HG22  ILE  12          HG21      ILE  12   6.295   0.758 -14.468
    7   HG21  ILE  12          HG22      ILE  12   5.638   1.643 -13.091
    8   HG23  ILE  12          HG23      ILE  12   6.266   2.521 -14.484
    9   HD12  ILE  12          HD11      ILE  12   2.825   0.660 -12.557
   10   HD11  ILE  12          HD12      ILE  12   4.517   0.192 -12.534
   11   HD13  ILE  12          HD13      ILE  12   3.274  -1.016 -12.832

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.815 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.816   3.924 -17.795
    5   HG13  ILE  13          HG13      ILE  13   5.623   4.709 -19.360
    6   HG21  ILE  13          HG21      ILE  13   6.399   7.558 -17.419
    7   HG23  ILE  13          HG22      ILE  13   4.760   8.048 -17.850
    8   HG22  ILE  13          HG23      ILE  13   5.825   7.357 -19.074
    9   HD12  ILE  13          HD11      ILE  13   8.032   4.412 -18.233
   10   HD11  ILE  13          HD12      ILE  13   7.567   5.916 -17.440
   11   HD13  ILE  13          HD13      ILE  13   7.635   5.832 -19.199

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   26
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   26
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   26
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   26
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   26
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   26
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   26
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   26
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   26
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   26
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   26
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   26
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   26
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   26
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   26
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   26
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.017  -8.739
    4    HB3  HIS  52           HB3      HIS  52  -7.511   7.703  -9.500
    5    HD1  HIS  52           HD1      HIS  52  -9.762   6.313  -9.236
    6    HD2  HIS  52           HD2      HIS  52  -6.598   5.008  -6.857
    7    HE1  HIS  52           HE1      HIS  52 -10.765   4.784  -7.491
    8    HE2  HIS  52           HE2      HIS  52  -8.851   3.983  -6.024

  No H/Q in entry =           8
  In of MODEL   26
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   26
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   26
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   26
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.898   3.589 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.865   3.434  -9.465
    5   HG22  THR  56          HG21      THR  56 -12.952   2.774  -9.435
    6   HG21  THR  56          HG22      THR  56 -13.311   1.680 -10.770
    7   HG23  THR  56          HG23      THR  56 -13.809   3.367 -10.858

  No H/Q in entry =           7
  In of MODEL   26
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   26
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.666  -1.969 -10.405
    4   HG12  ILE  59          HG12      ILE  59 -10.927  -4.335  -9.015
    5   HG13  ILE  59          HG13      ILE  59  -9.327  -4.417  -9.736
    6   HG21  ILE  59          HG21      ILE  59 -12.542  -2.635  -9.777
    7   HG23  ILE  59          HG22      ILE  59 -11.918  -1.105 -10.335
    8   HG22  ILE  59          HG23      ILE  59 -11.524  -1.674  -8.720
    9   HD13  ILE  59          HD11      ILE  59  -8.830  -3.792  -7.540
   10   HD12  ILE  59          HD12      ILE  59 -10.257  -2.764  -7.413
   11   HD11  ILE  59          HD13      ILE  59  -8.872  -2.235  -8.367

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   26
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   26
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   26
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   26
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   26
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   26
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   26
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   26
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LEU  74           H        LEU  74  -3.295  -7.029 -13.373
    2    HA   LEU  74           HA       LEU  74  -3.912  -4.376 -12.792
    3    HB2  LEU  74           HB2      LEU  74  -5.583  -6.130 -12.850
    4    HB3  LEU  74           HB3      LEU  74  -4.804  -6.977 -11.520
    5    HG   LEU  74           HG       LEU  74  -5.308  -5.067 -10.029
    6   HD12  LEU  74          HD11      LEU  74  -7.084  -3.447 -11.025
    7   HD11  LEU  74          HD12      LEU  74  -6.466  -3.972 -12.590
    8   HD13  LEU  74          HD13      LEU  74  -5.392  -3.177 -11.439
    9   HD21  LEU  74          HD21      LEU  74  -6.947  -7.073 -10.681
   10   HD23  LEU  74          HD22      LEU  74  -7.911  -5.770 -11.354
   11   HD22  LEU  74          HD23      LEU  74  -7.500  -5.760  -9.643

  No H/Q in entry =          11
  In of MODEL   26
    1    H    VAL  75           H        VAL  75  -2.304  -6.804 -10.866
    2    HA   VAL  75           HA       VAL  75  -2.148  -5.301  -8.452
    3    HB   VAL  75           HB       VAL  75  -0.182  -7.423  -9.319
    4   HG11  VAL  75          HG11      VAL  75  -1.141  -6.266  -6.708
    5   HG13  VAL  75          HG12      VAL  75   0.513  -6.501  -7.269
    6   HG12  VAL  75          HG13      VAL  75  -0.453  -7.888  -6.767
    7   HG23  VAL  75          HG21      VAL  75  -1.803  -9.035  -8.222
    8   HG22  VAL  75          HG22      VAL  75  -2.389  -8.356  -9.741
    9   HG21  VAL  75          HG23      VAL  75  -2.990  -7.731  -8.207

  No H/Q in entry =           9
  In of MODEL   26
    1    H    HIS  76           H        HIS  76   0.134  -5.687 -11.287
    2    HA   HIS  76           HA       HIS  76   2.295  -4.219 -10.277
    3    HB2  HIS  76           HB2      HIS  76   2.163  -5.551 -12.465
    4    HB3  HIS  76           HB3      HIS  76   1.441  -4.103 -13.165
    5    HD1  HIS  76           HD1      HIS  76   3.257  -2.959 -14.440
    6    HD2  HIS  76           HD2      HIS  76   4.612  -4.342 -10.749
    7    HE1  HIS  76           HE1      HIS  76   5.647  -2.157 -14.210

  No H/Q in entry =           7
  In of MODEL   26
    1    H    ALA  77           H        ALA  77  -0.569  -3.125 -12.074
    2    HA   ALA  77           HA       ALA  77   0.186  -0.374 -12.095
    3    HB1  ALA  77           HB1      ALA  77  -1.404  -0.893 -13.715
    4    HB2  ALA  77           HB2      ALA  77  -2.397  -0.128 -12.476
    5    HB3  ALA  77           HB3      ALA  77  -2.360  -1.885 -12.613

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLN  78           H        GLN  78  -1.833  -2.349  -9.943
    2    HA   GLN  78           HA       GLN  78  -2.759  -0.205  -8.335
    3    HB2  GLN  78           HB2      GLN  78  -3.674  -2.589  -8.467
    4    HB3  GLN  78           HB3      GLN  78  -2.344  -3.050  -7.406
    5    HG2  GLN  78           HG2      GLN  78  -3.103  -1.380  -5.749
    6    HG3  GLN  78           HG3      GLN  78  -4.457  -0.967  -6.798
    7   HE21  GLN  78          HE21      GLN  78  -4.960  -1.983  -4.195
    8   HE22  GLN  78          HE22      GLN  78  -5.620  -3.540  -4.333

  No H/Q in entry =           8
  In of MODEL   26
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   26
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.314   0.893 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.969   2.520 -10.292
    5    HD1  HIS  80           HD1      HIS  80   5.421   2.772 -10.629
    6    HD2  HIS  80           HD2      HIS  80   4.377  -1.185  -9.836
    7    HE1  HIS  80           HE1      HIS  80   7.551   1.406 -10.854
    8    HE2  HIS  80           HE2      HIS  80   6.926  -1.010 -10.374

  No H/Q in entry =           8
  In of MODEL   26
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   26
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   26
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   26
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   26
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   26
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   26
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   26
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   26
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   26
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   26
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   26
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   26
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   26
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   26
    1    H    PHE   9           H        PHE   9 -21.275   0.630  -3.908
    2    HA   PHE   9           HA       PHE   9 -18.518   1.521  -4.552
    3    HB2  PHE   9           HB2      PHE   9 -20.325   2.433  -2.306
    4    HB3  PHE   9           HB3      PHE   9 -18.616   2.843  -2.441
    5    HD1  PHE   9           HD1      PHE   9 -21.971   3.541  -3.618
    6    HD2  PHE   9           HD2      PHE   9 -17.801   4.132  -4.450
    7    HE1  PHE   9           HE1      PHE   9 -22.543   5.397  -5.158
    8    HE2  PHE   9           HE2      PHE   9 -18.372   5.988  -5.995
    9    HZ   PHE   9           HZ       PHE   9 -20.744   6.620  -6.348

  No H/Q in entry =           9
  In of MODEL   26
    1    H    CYS  10           H        CYS  10 -16.904   0.888  -3.259
    2    HA   CYS  10           HA       CYS  10 -17.171  -0.811  -0.941
    3    HB2  CYS  10           HB2      CYS  10 -16.097  -2.748  -1.753
    4    HB3  CYS  10           HB3      CYS  10 -17.223  -2.332  -3.048

  No H/Q in entry =           4
  In of MODEL   26
    1    H    SER  11           H        SER  11 -14.419  -1.504  -0.450
    2    HA   SER  11           HA       SER  11 -13.469   1.118  -0.021
    3    HB2  SER  11           HB2      SER  11 -12.562  -0.473   1.441
    4    HB3  SER  11           HB3      SER  11 -12.143  -1.573   0.145
    5    HG   SER  11           HG       SER  11 -10.372  -0.466  -0.240

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA  12           H        ALA  12 -12.163  -1.357  -2.374
    2    HA   ALA  12           HA       ALA  12 -10.785   0.903  -3.663
    3    HB1  ALA  12           HB1      ALA  12 -10.040  -1.817  -3.033
    4    HB3  ALA  12           HB2      ALA  12  -9.026  -0.490  -3.596
    5    HB2  ALA  12           HB3      ALA  12  -9.862  -1.515  -4.761

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLY  13           H        GLY  13 -12.904  -1.842  -4.281
    2    HA3  GLY  13           HA2      GLY  13 -14.699  -1.484  -5.912
    3    HA2  GLY  13           HA3      GLY  13 -13.501  -0.711  -6.942

  No H/Q in entry =           3
  In of MODEL   26
    1    H    MET  14           H        MET  14 -12.664  -3.675  -5.191
    2    HA   MET  14           HA       MET  14 -12.515  -4.988  -7.827
    3    HB2  MET  14           HB2      MET  14 -10.431  -4.741  -6.427
    4    HB3  MET  14           HB3      MET  14 -11.153  -5.876  -5.286
    5    HG2  MET  14           HG2      MET  14 -11.354  -7.559  -7.072
    6    HG3  MET  14           HG3      MET  14 -10.657  -6.426  -8.229
    7    HE1  MET  14           HE1      MET  14  -8.995  -7.884  -9.007
    8    HE3  MET  14           HE2      MET  14  -9.212  -9.282  -7.957
    9    HE2  MET  14           HE3      MET  14  -7.614  -8.564  -8.136

  No H/Q in entry =           9
  In of MODEL   26
    1    H    SER  15           H        SER  15 -12.831  -6.317  -4.561
    2    HA   SER  15           HA       SER  15 -14.083  -8.653  -5.201
    3    HB2  SER  15           HB2      SER  15 -13.417  -7.787  -2.881
    4    HB3  SER  15           HB3      SER  15 -15.029  -7.074  -2.826
    5    HG   SER  15           HG       SER  15 -15.706  -9.298  -3.509

  No H/Q in entry =           5
  In of MODEL   26
    1    H    THR  16           H        THR  16 -15.510  -5.463  -5.468
    2    HA   THR  16           HA       THR  16 -18.192  -6.681  -5.630
    3    HB   THR  16           HB       THR  16 -17.441  -3.763  -5.939
    4    HG1  THR  16           HG1      THR  16 -17.242  -5.241  -3.808
    5   HG21  THR  16          HG21      THR  16 -20.008  -5.306  -5.620
    6   HG23  THR  16          HG22      THR  16 -19.608  -4.053  -6.796
    7   HG22  THR  16          HG23      THR  16 -19.904  -3.619  -5.112

  No H/Q in entry =           7
  In of MODEL   26
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   26
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   26
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   26
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   26
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   26
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   26
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   26
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   26
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   26
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   26
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   26
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   26
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   26
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   26
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   26
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   26
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   26
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   26
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   26
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   26
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   26
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   26
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   26
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   26
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   26
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   26
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   26
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   26
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   26
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   26
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   26
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   26
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   26
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   26
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   26
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   26
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   26
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   26
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   26
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   26
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   26
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   26
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   26
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   26
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   26
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   26
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   26
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   26
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   26
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   26
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   26
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   27
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.301 -14.305  -2.712
    4    HB3  GLU   5           HB3      GLU   5 -14.707 -13.899  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.806 -12.525  -3.702
    6    HG3  GLU   5           HG3      GLU   5 -14.344 -11.480  -2.359

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   27
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   27
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   27
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.708  -8.431   1.544
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.708   1.343
    5    HG2  MET   9           HG2      MET   9 -14.294  -6.788  -0.970
    6    HG3  MET   9           HG3      MET   9 -13.794  -8.469  -0.791
    7    HE1  MET   9           HE1      MET   9 -16.339  -5.897  -0.545
    8    HE3  MET   9           HE2      MET   9 -17.387  -6.783   0.558
    9    HE2  MET   9           HE3      MET   9 -17.863  -6.578  -1.121

  No H/Q in entry =           9
  In of MODEL   27
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   27
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.937  -4.412   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.175  -6.147   0.951
    5   HG13  ILE  12          HG13      ILE  12  -9.684  -5.413  -0.557
    6   HG23  ILE  12          HG21      ILE  12 -10.332  -2.949  -0.559
    7   HG22  ILE  12          HG22      ILE  12  -8.785  -2.579   0.204
    8   HG21  ILE  12          HG23      ILE  12 -10.298  -2.063   0.960
    9   HD11  ILE  12          HD11      ILE  12  -7.653  -3.894  -0.334
   10   HD13  ILE  12          HD12      ILE  12  -7.303  -5.589  -0.618
   11   HD12  ILE  12          HD13      ILE  12  -7.156  -4.920   1.001

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.604   5.238
    4   HG12  ILE  13          HG12      ILE  13 -13.487  -3.059   2.663
    5   HG13  ILE  13          HG13      ILE  13 -14.909  -3.541   3.573
    6   HG21  ILE  13          HG21      ILE  13 -13.919  -0.661   5.422
    7   HG23  ILE  13          HG22      ILE  13 -13.722  -1.827   6.731
    8   HG22  ILE  13          HG23      ILE  13 -15.157  -1.885   5.707
    9   HD13  ILE  13          HD11      ILE  13 -15.764  -1.350   3.644
   10   HD12  ILE  13          HD12      ILE  13 -15.062  -1.440   2.034
   11   HD11  ILE  13          HD13      ILE  13 -14.187  -0.630   3.331

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   27
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   27
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   27
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   27
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   27
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   27
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   27
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   27
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   27
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   27
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   27
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   27
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   27
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   27
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   27
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   27
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.932  -6.674  10.548
    4    HB3  HIS  52           HB3      HIS  52  -1.121  -7.730  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.227 -10.031  11.876
    6    HD2  HIS  52           HD2      HIS  52   1.274  -7.275   8.930
    7    HE1  HIS  52           HE1      HIS  52   2.438 -10.813  10.918
    8    HE2  HIS  52           HE2      HIS  52   3.091  -9.142   9.121

  No H/Q in entry =           8
  In of MODEL   27
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   27
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   27
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   27
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.216  10.983
    4    HG1  THR  56           HG1      THR  56   0.855 -12.386  10.053
    5   HG23  THR  56          HG21      THR  56   0.895 -15.180  11.670
    6   HG22  THR  56          HG22      THR  56   1.849 -14.281  10.493
    7   HG21  THR  56          HG23      THR  56   0.926 -15.693   9.984

  No H/Q in entry =           7
  In of MODEL   27
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   27
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.299 -14.628   4.884
    4   HG12  ILE  59          HG12      ILE  59   2.442 -16.256   3.516
    5   HG13  ILE  59          HG13      ILE  59   1.183 -15.428   2.613
    6   HG22  ILE  59          HG21      ILE  59   2.559 -16.396   5.642
    7   HG21  ILE  59          HG22      ILE  59   1.130 -16.490   6.636
    8   HG23  ILE  59          HG23      ILE  59   1.963 -14.956   6.447
    9   HD13  ILE  59          HD11      ILE  59   2.993 -13.888   2.694
   10   HD12  ILE  59          HD12      ILE  59   3.278 -14.207   4.404
   11   HD11  ILE  59          HD13      ILE  59   1.843 -13.316   3.902

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   27
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   27
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   27
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   27
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   27
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   27
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   27
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   27
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LEU  74           H        LEU  74  -4.182 -13.631  -2.391
    2    HA   LEU  74           HA       LEU  74  -3.798 -12.452   0.114
    3    HB2  LEU  74           HB2      LEU  74  -2.867 -14.609  -0.547
    4    HB3  LEU  74           HB3      LEU  74  -1.848 -13.826  -1.748
    5    HG   LEU  74           HG       LEU  74  -0.721 -12.576   0.092
    6   HD12  LEU  74          HD11      LEU  74  -1.118 -13.692   2.411
    7   HD11  LEU  74          HD12      LEU  74  -2.650 -14.225   1.721
    8   HD13  LEU  74          HD13      LEU  74  -2.293 -12.502   1.851
    9   HD22  LEU  74          HD21      LEU  74   0.716 -14.387   0.635
   10   HD21  LEU  74          HD22      LEU  74  -0.049 -14.917  -0.853
   11   HD23  LEU  74          HD23      LEU  74  -0.621 -15.534   0.692

  No H/Q in entry =          11
  In of MODEL   27
    1    H    VAL  75           H        VAL  75  -2.649 -11.574  -3.036
    2    HA   VAL  75           HA       VAL  75  -0.695  -9.661  -2.224
    3    HB   VAL  75           HB       VAL  75  -2.208 -10.089  -4.811
    4   HG11  VAL  75          HG11      VAL  75  -0.051  -8.065  -4.154
    5   HG13  VAL  75          HG12      VAL  75  -1.691  -7.725  -4.703
    6   HG12  VAL  75          HG13      VAL  75  -0.538  -8.489  -5.794
    7   HG22  VAL  75          HG21      VAL  75  -0.073 -10.960  -5.606
    8   HG21  VAL  75          HG22      VAL  75  -0.475 -11.776  -4.096
    9   HG23  VAL  75          HG23      VAL  75   0.721 -10.482  -4.106

  No H/Q in entry =           9
  In of MODEL   27
    1    H    HIS  76           H        HIS  76  -4.389  -9.286  -3.343
    2    HA   HIS  76           HA       HIS  76  -4.715  -6.512  -3.178
    3    HB2  HIS  76           HB2      HIS  76  -6.456  -8.110  -4.043
    4    HB3  HIS  76           HB3      HIS  76  -6.808  -8.561  -2.380
    5    HD1  HIS  76           HD1      HIS  76  -6.036  -4.955  -2.837
    6    HD2  HIS  76           HD2      HIS  76  -9.475  -7.338  -2.893
    7    HE1  HIS  76           HE1      HIS  76  -8.022  -3.369  -2.692

  No H/Q in entry =           7
  In of MODEL   27
    1    H    ALA  77           H        ALA  77  -4.721  -8.960  -0.652
    2    HA   ALA  77           HA       ALA  77  -5.518  -7.102   1.422
    3    HB1  ALA  77           HB1      ALA  77  -4.745  -9.115   2.894
    4    HB3  ALA  77           HB2      ALA  77  -4.675  -9.984   1.361
    5    HB2  ALA  77           HB3      ALA  77  -6.198  -9.286   1.908

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLN  78           H        GLN  78  -2.472  -8.794   0.529
    2    HA   GLN  78           HA       GLN  78  -0.926  -7.720   2.617
    3    HB2  GLN  78           HB2      GLN  78  -0.351  -9.649   1.038
    4    HB3  GLN  78           HB3      GLN  78   0.135  -8.416  -0.124
    5    HG2  GLN  78           HG2      GLN  78   1.707  -7.488   1.554
    6    HG3  GLN  78           HG3      GLN  78   1.258  -8.778   2.667
    7   HE21  GLN  78          HE21      GLN  78   3.141 -10.075   2.688
    8   HE22  GLN  78          HE22      GLN  78   3.846 -10.737   1.294

  No H/Q in entry =           8
  In of MODEL   27
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   27
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.175
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.803   2.201
    5    HD1  HIS  80           HD1      HIS  80  -6.732  -0.972   1.177
    6    HD2  HIS  80           HD2      HIS  80  -5.023  -3.436  -1.721
    7    HE1  HIS  80           HE1      HIS  80  -7.606  -0.158  -1.064
    8    HE2  HIS  80           HE2      HIS  80  -6.570  -1.654  -2.840

  No H/Q in entry =           8
  In of MODEL   27
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   27
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   27
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   27
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   27
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   27
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   27
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   27
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   27
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   27
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.447 -20.445  -4.422
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.878  -3.444
    5    HG2  GLU   5           HG2      GLU   5   9.917 -21.079  -2.028
    6    HG3  GLU   5           HG3      GLU   5  10.786 -19.630  -1.523

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   27
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   27
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   27
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.037 -16.707   0.857
    4    HB3  MET   9           HB3      MET   9  13.730 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.348 -16.603   2.258
    6    HG3  MET   9           HG3      MET   9  11.572 -17.023   0.559
    7    HE1  MET   9           HE1      MET   9  12.449 -17.510   4.062
    8    HE3  MET   9           HE2      MET   9  13.999 -18.278   3.729
    9    HE2  MET   9           HE3      MET   9  12.657 -19.244   4.337

  No H/Q in entry =           9
  In of MODEL   27
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   27
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.954   2.303
    4   HG12  ILE  12          HG12      ILE  12  10.837 -11.533  -0.018
    5   HG13  ILE  12          HG13      ILE  12   9.642 -12.259   1.038
    6   HG22  ILE  12          HG21      ILE  12   9.521 -11.480   3.434
    7   HG21  ILE  12          HG22      ILE  12   9.742  -9.767   3.080
    8   HG23  ILE  12          HG23      ILE  12  10.875 -10.602   4.141
    9   HD11  ILE  12          HD11      ILE  12   8.775  -9.890   1.420
   10   HD13  ILE  12          HD12      ILE  12   8.529 -10.551  -0.187
   11   HD12  ILE  12          HD13      ILE  12   9.832  -9.406   0.102

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.104 -11.634   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.803 -12.609   4.673
    5   HG13  ILE  13          HG13      ILE  13  15.280 -13.529   4.937
    6   HG21  ILE  13          HG21      ILE  13  16.119 -10.535   6.655
    7   HG23  ILE  13          HG22      ILE  13  17.381 -10.430   5.427
    8   HG22  ILE  13          HG23      ILE  13  17.053 -11.968   6.228
    9   HD13  ILE  13          HD11      ILE  13  15.345 -13.009   7.227
   10   HD12  ILE  13          HD12      ILE  13  13.618 -13.198   6.931
   11   HD11  ILE  13          HD13      ILE  13  14.324 -11.585   7.027

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   27
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   27
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   27
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   27
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   27
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   27
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   27
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   27
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   27
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   27
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   27
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   27
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   27
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   27
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   27
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   27
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.296  -1.676  -5.695
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.634
    5    HD1  HIS  52           HD1      HIS  52  17.500  -1.959  -9.279
    6    HD2  HIS  52           HD2      HIS  52  14.023  -1.006  -7.187
    7    HE1  HIS  52           HE1      HIS  52  15.848  -1.097 -10.993
    8    HE2  HIS  52           HE2      HIS  52  13.722  -0.510  -9.733

  No H/Q in entry =           8
  In of MODEL   27
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   27
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   27
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   27
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.062
    4    HG1  THR  56           HG1      THR  56  15.929  -3.450 -11.419
    5   HG23  THR  56          HG21      THR  56  17.771  -4.159 -13.980
    6   HG22  THR  56          HG22      THR  56  16.192  -3.478 -13.593
    7   HG21  THR  56          HG23      THR  56  16.310  -5.103 -14.262

  No H/Q in entry =           7
  In of MODEL   27
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   27
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.824  -7.166 -12.523
    4   HG12  ILE  59          HG12      ILE  59   9.918  -6.972 -14.858
    5   HG13  ILE  59          HG13      ILE  59   9.520  -7.869 -13.401
    6   HG23  ILE  59          HG21      ILE  59  12.457  -5.391 -13.876
    7   HG22  ILE  59          HG22      ILE  59  11.832  -6.131 -15.327
    8   HG21  ILE  59          HG23      ILE  59  13.353  -6.687 -14.649
    9   HD13  ILE  59          HD11      ILE  59   8.636  -5.688 -13.048
   10   HD12  ILE  59          HD12      ILE  59  10.105  -4.921 -13.652
   11   HD11  ILE  59          HD13      ILE  59  10.119  -5.752 -12.097

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   27
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   27
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   27
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   27
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   27
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   27
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   27
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   27
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LEU  74           H        LEU  74   6.942 -13.093  -8.618
    2    HA   LEU  74           HA       LEU  74   8.866 -11.139  -8.078
    3    HB2  LEU  74           HB2      LEU  74   8.201 -11.828 -10.325
    4    HB3  LEU  74           HB3      LEU  74   6.587 -11.173 -10.071
    5    HG   LEU  74           HG       LEU  74   7.604  -8.911  -9.783
    6   HD12  LEU  74          HD11      LEU  74  10.012  -8.794 -10.759
    7   HD11  LEU  74          HD12      LEU  74  10.099 -10.508 -10.358
    8   HD13  LEU  74          HD13      LEU  74   9.825  -9.317  -9.087
    9   HD22  LEU  74          HD21      LEU  74   7.753  -8.530 -12.121
   10   HD21  LEU  74          HD22      LEU  74   6.809 -10.005 -12.020
   11   HD23  LEU  74          HD23      LEU  74   8.523 -10.089 -12.407

  No H/Q in entry =          11
  In of MODEL   27
    1    H    VAL  75           H        VAL  75   5.401 -11.100  -7.744
    2    HA   VAL  75           HA       VAL  75   5.067  -8.338  -7.180
    3    HB   VAL  75           HB       VAL  75   3.418 -10.785  -6.517
    4   HG11  VAL  75          HG11      VAL  75   2.820  -7.871  -5.931
    5   HG13  VAL  75          HG12      VAL  75   2.996  -9.167  -4.749
    6   HG12  VAL  75          HG13      VAL  75   1.625  -9.166  -5.858
    7   HG22  VAL  75          HG21      VAL  75   1.938  -9.914  -8.252
    8   HG21  VAL  75          HG22      VAL  75   3.574  -9.990  -8.904
    9   HG23  VAL  75          HG23      VAL  75   2.905  -8.445  -8.385

  No H/Q in entry =           9
  In of MODEL   27
    1    H    HIS  76           H        HIS  76   5.551 -11.241  -4.980
    2    HA   HIS  76           HA       HIS  76   5.336  -9.906  -2.522
    3    HB2  HIS  76           HB2      HIS  76   5.547 -12.437  -2.979
    4    HB3  HIS  76           HB3      HIS  76   7.289 -12.152  -2.975
    5    HD1  HIS  76           HD1      HIS  76   7.973 -13.064  -0.726
    6    HD2  HIS  76           HD2      HIS  76   4.695 -10.504  -0.445
    7    HE1  HIS  76           HE1      HIS  76   7.538 -12.726   1.746

  No H/Q in entry =           7
  In of MODEL   27
    1    H    ALA  77           H        ALA  77   8.175 -10.457  -4.598
    2    HA   ALA  77           HA       ALA  77  10.007  -9.156  -2.841
    3    HB3  ALA  77           HB1      ALA  77  11.353  -8.984  -5.085
    4    HB2  ALA  77           HB2      ALA  77  10.071 -10.019  -5.714
    5    HB1  ALA  77           HB3      ALA  77  11.064 -10.569  -4.365

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLN  78           H        GLN  78   8.150  -8.074  -5.678
    2    HA   GLN  78           HA       GLN  78   9.280  -5.480  -5.806
    3    HB2  GLN  78           HB2      GLN  78   7.884  -6.714  -7.574
    4    HB3  GLN  78           HB3      GLN  78   6.472  -6.194  -6.655
    5    HG2  GLN  78           HG2      GLN  78   7.219  -3.843  -6.872
    6    HG3  GLN  78           HG3      GLN  78   8.587  -4.380  -7.845
    7   HE21  GLN  78          HE21      GLN  78   8.027  -3.631  -9.927
    8   HE22  GLN  78          HE22      GLN  78   6.573  -4.020 -10.712

  No H/Q in entry =           8
  In of MODEL   27
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   27
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.171  -7.450  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.037  -6.564   0.739
    5    HD1  HIS  80           HD1      HIS  80   9.408  -7.087   3.089
    6    HD2  HIS  80           HD2      HIS  80   6.430  -8.238   0.408
    7    HE1  HIS  80           HE1      HIS  80   7.625  -8.269   4.458
    8    HE2  HIS  80           HE2      HIS  80   5.803  -8.975   2.833

  No H/Q in entry =           8
  In of MODEL   27
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   27
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   27
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   27
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   27
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   27
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   27
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   27
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   27
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   27
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.084  -6.376 -21.756
    4    HB3  GLU   5           HB3      GLU   5   0.448  -5.132 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.546  -6.100 -22.272
    6    HG3  GLU   5           HG3      GLU   5   2.453  -4.495 -21.551

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   27
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   27
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   27
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.434 -21.000
    4    HB3  MET   9           HB3      MET   9   4.425   1.170 -20.552
    5    HG2  MET   9           HG2      MET   9   5.227  -0.951 -19.659
    6    HG3  MET   9           HG3      MET   9   3.661  -1.704 -19.958
    7    HE1  MET   9           HE1      MET   9   6.533   0.169 -21.183
    8    HE3  MET   9           HE2      MET   9   5.710   0.801 -22.607
    9    HE2  MET   9           HE3      MET   9   6.942  -0.445 -22.790

  No H/Q in entry =           9
  In of MODEL   27
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   27
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.467   1.681 -15.889
    4   HG12  ILE  12          HG12      ILE  12   2.665   0.278 -14.856
    5   HG13  ILE  12          HG13      ILE  12   4.210  -0.541 -14.952
    6   HG22  ILE  12          HG21      ILE  12   6.301   0.768 -14.480
    7   HG21  ILE  12          HG22      ILE  12   5.654   1.658 -13.103
    8   HG23  ILE  12          HG23      ILE  12   6.265   2.530 -14.507
    9   HD11  ILE  12          HD11      ILE  12   4.563   0.166 -12.532
   10   HD13  ILE  12          HD12      ILE  12   3.297  -1.019 -12.805
   11   HD12  ILE  12          HD13      ILE  12   2.880   0.668 -12.539

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.814 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.841   3.933 -17.777
    5   HG13  ILE  13          HG13      ILE  13   5.607   4.689 -19.351
    6   HG21  ILE  13          HG21      ILE  13   6.393   7.562 -17.415
    7   HG23  ILE  13          HG22      ILE  13   4.756   8.047 -17.856
    8   HG22  ILE  13          HG23      ILE  13   5.828   7.356 -19.073
    9   HD13  ILE  13          HD11      ILE  13   7.574   5.963 -19.171
   10   HD12  ILE  13          HD12      ILE  13   8.036   4.439 -18.414
   11   HD11  ILE  13          HD13      ILE  13   7.611   5.827 -17.414

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   27
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   27
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   27
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   27
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   27
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   27
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   27
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   27
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   27
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   27
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   27
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   27
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   27
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   27
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   27
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   27
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.018  -8.740
    4    HB3  HIS  52           HB3      HIS  52  -7.512   7.702  -9.500
    5    HD1  HIS  52           HD1      HIS  52  -9.757   6.284  -9.254
    6    HD2  HIS  52           HD2      HIS  52  -6.599   5.035  -6.837
    7    HE1  HIS  52           HE1      HIS  52 -10.758   4.761  -7.503
    8    HE2  HIS  52           HE2      HIS  52  -8.848   3.994  -6.013

  No H/Q in entry =           8
  In of MODEL   27
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   27
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   27
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   27
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.897   3.590 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.851   3.425  -9.470
    5   HG23  THR  56          HG21      THR  56 -13.821   3.360 -10.852
    6   HG22  THR  56          HG22      THR  56 -12.944   2.779  -9.437
    7   HG21  THR  56          HG23      THR  56 -13.302   1.677 -10.765

  No H/Q in entry =           7
  In of MODEL   27
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   27
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.658  -1.979 -10.402
    4   HG12  ILE  59          HG12      ILE  59 -10.965  -4.256  -8.933
    5   HG13  ILE  59          HG13      ILE  59  -9.432  -4.488  -9.758
    6   HG23  ILE  59          HG21      ILE  59 -11.715  -0.956 -10.090
    7   HG22  ILE  59          HG22      ILE  59 -11.641  -1.963  -8.668
    8   HG21  ILE  59          HG23      ILE  59 -12.602  -2.469 -10.048
    9   HD13  ILE  59          HD11      ILE  59  -8.750  -3.851  -7.610
   10   HD12  ILE  59          HD12      ILE  59 -10.059  -2.684  -7.444
   11   HD11  ILE  59          HD13      ILE  59  -8.692  -2.329  -8.498

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   27
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   27
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   27
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   27
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   27
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   27
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   27
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   27
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LEU  74           H        LEU  74  -3.302  -7.017 -13.326
    2    HA   LEU  74           HA       LEU  74  -3.863  -4.359 -12.696
    3    HB2  LEU  74           HB2      LEU  74  -5.523  -6.161 -12.708
    4    HB3  LEU  74           HB3      LEU  74  -4.726  -6.932 -11.343
    5    HG   LEU  74           HG       LEU  74  -5.203  -4.895  -9.978
    6   HD12  LEU  74          HD11      LEU  74  -7.088  -3.442 -11.026
    7   HD11  LEU  74          HD12      LEU  74  -6.518  -4.080 -12.567
    8   HD13  LEU  74          HD13      LEU  74  -5.430  -3.144 -11.544
    9   HD22  LEU  74          HD21      LEU  74  -7.433  -5.566  -9.498
   10   HD21  LEU  74          HD22      LEU  74  -6.738  -6.990 -10.253
   11   HD23  LEU  74          HD23      LEU  74  -7.775  -5.921 -11.191

  No H/Q in entry =          11
  In of MODEL   27
    1    H    VAL  75           H        VAL  75  -2.163  -6.812 -10.906
    2    HA   VAL  75           HA       VAL  75  -1.889  -5.423  -8.445
    3    HB   VAL  75           HB       VAL  75  -0.285  -7.642  -9.721
    4   HG11  VAL  75          HG11      VAL  75   0.063  -6.350  -6.998
    5   HG13  VAL  75          HG12      VAL  75   1.247  -6.379  -8.304
    6   HG12  VAL  75          HG13      VAL  75   0.806  -7.875  -7.481
    7   HG22  VAL  75          HG21      VAL  75  -1.385  -9.022  -8.030
    8   HG21  VAL  75          HG22      VAL  75  -2.621  -8.106  -8.892
    9   HG23  VAL  75          HG23      VAL  75  -2.102  -7.592  -7.288

  No H/Q in entry =           9
  In of MODEL   27
    1    H    HIS  76           H        HIS  76   0.286  -5.624 -11.391
    2    HA   HIS  76           HA       HIS  76   2.412  -4.083 -10.408
    3    HB2  HIS  76           HB2      HIS  76   2.301  -5.382 -12.608
    4    HB3  HIS  76           HB3      HIS  76   1.466  -3.977 -13.271
    5    HD1  HIS  76           HD1      HIS  76   4.106  -3.451 -10.686
    6    HD2  HIS  76           HD2      HIS  76   3.777  -3.282 -14.838
    7    HE1  HIS  76           HE1      HIS  76   6.191  -2.284 -11.522

  No H/Q in entry =           7
  In of MODEL   27
    1    H    ALA  77           H        ALA  77  -0.547  -3.078 -12.108
    2    HA   ALA  77           HA       ALA  77   0.114  -0.304 -12.112
    3    HB2  ALA  77           HB1      ALA  77  -2.482  -0.140 -12.438
    4    HB1  ALA  77           HB2      ALA  77  -2.389  -1.894 -12.589
    5    HB3  ALA  77           HB3      ALA  77  -1.496  -0.865 -13.709

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLN  78           H        GLN  78  -1.837  -2.351  -9.951
    2    HA   GLN  78           HA       GLN  78  -2.781  -0.238  -8.318
    3    HB2  GLN  78           HB2      GLN  78  -3.636  -2.654  -8.472
    4    HB3  GLN  78           HB3      GLN  78  -2.310  -3.070  -7.385
    5    HG2  GLN  78           HG2      GLN  78  -3.143  -1.394  -5.762
    6    HG3  GLN  78           HG3      GLN  78  -4.501  -1.053  -6.832
    7   HE21  GLN  78          HE21      GLN  78  -6.257  -1.965  -5.693
    8   HE22  GLN  78          HE22      GLN  78  -6.317  -3.583  -5.186

  No H/Q in entry =           8
  In of MODEL   27
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   27
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.314   0.892 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.969   2.520 -10.292
    5    HD1  HIS  80           HD1      HIS  80   5.416   2.769 -10.654
    6    HD2  HIS  80           HD2      HIS  80   4.383  -1.180  -9.811
    7    HE1  HIS  80           HE1      HIS  80   7.548   1.405 -10.873
    8    HE2  HIS  80           HE2      HIS  80   6.929  -1.006 -10.362

  No H/Q in entry =           8
  In of MODEL   27
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   27
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   27
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   27
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   27
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   27
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   27
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   27
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   27
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   27
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   27
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   27
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   27
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   27
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   27
    1    H    PHE   9           H        PHE   9 -21.288   0.640  -3.916
    2    HA   PHE   9           HA       PHE   9 -18.529   1.538  -4.541
    3    HB2  PHE   9           HB2      PHE   9 -20.358   2.445  -2.311
    4    HB3  PHE   9           HB3      PHE   9 -18.649   2.862  -2.432
    5    HD1  PHE   9           HD1      PHE   9 -21.998   3.532  -3.653
    6    HD2  PHE   9           HD2      PHE   9 -17.821   4.164  -4.421
    7    HE1  PHE   9           HE1      PHE   9 -22.565   5.383  -5.200
    8    HE2  PHE   9           HE2      PHE   9 -18.388   6.016  -5.973
    9    HZ   PHE   9           HZ       PHE   9 -20.760   6.625  -6.362

  No H/Q in entry =           9
  In of MODEL   27
    1    H    CYS  10           H        CYS  10 -16.924   0.915  -3.243
    2    HA   CYS  10           HA       CYS  10 -17.183  -0.758  -0.909
    3    HB2  CYS  10           HB2      CYS  10 -16.108  -2.711  -1.709
    4    HB3  CYS  10           HB3      CYS  10 -17.286  -2.323  -2.966

  No H/Q in entry =           4
  In of MODEL   27
    1    H    SER  11           H        SER  11 -14.466  -1.460  -0.409
    2    HA   SER  11           HA       SER  11 -13.458   1.131  -0.007
    3    HB2  SER  11           HB2      SER  11 -12.547  -0.482   1.428
    4    HB3  SER  11           HB3      SER  11 -12.162  -1.576   0.117
    5    HG   SER  11           HG       SER  11 -10.577   0.160   1.217

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA  12           H        ALA  12 -12.219  -1.338  -2.392
    2    HA   ALA  12           HA       ALA  12 -10.829   0.905  -3.696
    3    HB2  ALA  12           HB1      ALA  12  -9.976  -1.530  -4.817
    4    HB1  ALA  12           HB2      ALA  12 -10.111  -1.826  -3.085
    5    HB3  ALA  12           HB3      ALA  12  -9.092  -0.515  -3.678

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLY  13           H        GLY  13 -12.933  -1.867  -4.337
    2    HA3  GLY  13           HA2      GLY  13 -14.762  -1.487  -5.941
    3    HA2  GLY  13           HA3      GLY  13 -13.577  -0.686  -6.966

  No H/Q in entry =           3
  In of MODEL   27
    1    H    MET  14           H        MET  14 -12.786  -3.700  -5.241
    2    HA   MET  14           HA       MET  14 -12.668  -4.989  -7.897
    3    HB2  MET  14           HB2      MET  14 -10.503  -4.774  -6.760
    4    HB3  MET  14           HB3      MET  14 -11.134  -5.679  -5.384
    5    HG2  MET  14           HG2      MET  14 -10.748  -7.637  -6.427
    6    HG3  MET  14           HG3      MET  14 -11.657  -7.111  -7.843
    7    HE2  MET  14           HE1      MET  14  -8.346  -8.544  -6.952
    8    HE1  MET  14           HE2      MET  14  -8.476  -7.150  -5.883
    9    HE3  MET  14           HE3      MET  14  -7.198  -7.208  -7.093

  No H/Q in entry =           9
  In of MODEL   27
    1    H    SER  15           H        SER  15 -12.868  -6.292  -4.585
    2    HA   SER  15           HA       SER  15 -14.089  -8.653  -5.194
    3    HB2  SER  15           HB2      SER  15 -13.430  -7.667  -2.881
    4    HB3  SER  15           HB3      SER  15 -15.108  -7.128  -2.828
    5    HG   SER  15           HG       SER  15 -15.439  -9.472  -3.581

  No H/Q in entry =           5
  In of MODEL   27
    1    H    THR  16           H        THR  16 -15.525  -5.499  -5.467
    2    HA   THR  16           HA       THR  16 -18.217  -6.697  -5.646
    3    HB   THR  16           HB       THR  16 -17.458  -3.781  -5.944
    4    HG1  THR  16           HG1      THR  16 -16.864  -4.390  -3.907
    5   HG22  THR  16          HG21      THR  16 -19.920  -3.647  -5.094
    6   HG21  THR  16          HG22      THR  16 -20.020  -5.327  -5.625
    7   HG23  THR  16          HG23      THR  16 -19.629  -4.058  -6.785

  No H/Q in entry =           7
  In of MODEL   27
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   27
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   27
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   27
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   27
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   27
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   27
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   27
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   27
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   27
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   27
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   27
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   27
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   27
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   27
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   27
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   27
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   27
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   27
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   27
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   27
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   27
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   27
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   27
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   27
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   27
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   27
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   27
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   27
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   27
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   27
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   27
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   27
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   27
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   27
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   27
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   27
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   27
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   27
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   27
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   27
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   27
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   27
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   27
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   27
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   27
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   27
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   27
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   27
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   27
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   27
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   27
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   28
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.286 -14.281  -2.731
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.931  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.579 -11.560  -2.349
    6    HG3  GLU   5           HG3      GLU   5 -13.139 -11.871  -3.320

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   28
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   28
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   28
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.707  -8.432   1.542
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.709   1.344
    5    HG2  MET   9           HG2      MET   9 -14.227  -6.803  -0.971
    6    HG3  MET   9           HG3      MET   9 -13.845  -8.514  -0.783
    7    HE1  MET   9           HE1      MET   9 -16.255  -5.760  -1.099
    8    HE3  MET   9           HE2      MET   9 -17.048  -6.301   0.376
    9    HE2  MET   9           HE3      MET   9 -17.878  -6.451  -1.165

  No H/Q in entry =           9
  In of MODEL   28
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   28
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.943  -4.386   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.243  -6.172   0.964
    5   HG13  ILE  12          HG13      ILE  12  -9.695  -5.420  -0.553
    6   HG22  ILE  12          HG21      ILE  12  -8.742  -2.604   0.223
    7   HG21  ILE  12          HG22      ILE  12 -10.271  -2.044   0.905
    8   HG23  ILE  12          HG23      ILE  12 -10.253  -2.993  -0.587
    9   HD12  ILE  12          HD11      ILE  12  -7.159  -5.005   1.039
   10   HD11  ILE  12          HD12      ILE  12  -7.639  -3.962  -0.288
   11   HD13  ILE  12          HD13      ILE  12  -7.335  -5.670  -0.576

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.235
    4   HG12  ILE  13          HG12      ILE  13 -13.494  -3.073   2.667
    5   HG13  ILE  13          HG13      ILE  13 -14.926  -3.521   3.579
    6   HG21  ILE  13          HG21      ILE  13 -13.964  -0.665   5.398
    7   HG23  ILE  13          HG22      ILE  13 -13.680  -1.793   6.724
    8   HG22  ILE  13          HG23      ILE  13 -15.148  -1.924   5.754
    9   HD11  ILE  13          HD11      ILE  13 -14.208  -0.619   3.423
   10   HD13  ILE  13          HD12      ILE  13 -15.793  -1.372   3.542
   11   HD12  ILE  13          HD13      ILE  13 -14.929  -1.381   2.007

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   28
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   28
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   28
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   28
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   28
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   28
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   28
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   28
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   28
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   28
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   28
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   28
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   28
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   28
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   28
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   28
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.931  -6.675  10.547
    4    HB3  HIS  52           HB3      HIS  52  -1.122  -7.729  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.196 -10.064  11.836
    6    HD2  HIS  52           HD2      HIS  52   1.305  -7.245   8.973
    7    HE1  HIS  52           HE1      HIS  52   2.414 -10.839  10.890
    8    HE2  HIS  52           HE2      HIS  52   3.105  -9.129   9.144

  No H/Q in entry =           8
  In of MODEL   28
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   28
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   28
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   28
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.147 -13.988  10.972
    4    HG1  THR  56           HG1      THR  56   1.078 -12.786  11.121
    5   HG21  THR  56          HG21      THR  56   1.580 -15.030  10.106
    6   HG23  THR  56          HG22      THR  56   0.222 -16.020  10.637
    7   HG22  THR  56          HG23      THR  56   1.003 -14.917  11.768

  No H/Q in entry =           7
  In of MODEL   28
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   28
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.915
    4   HG12  ILE  59          HG12      ILE  59   2.419 -16.222   3.467
    5   HG13  ILE  59          HG13      ILE  59   1.137 -15.382   2.608
    6   HG21  ILE  59          HG21      ILE  59   1.122 -16.024   6.797
    7   HG23  ILE  59          HG22      ILE  59   2.390 -15.065   6.083
    8   HG22  ILE  59          HG23      ILE  59   2.287 -16.782   5.728
    9   HD13  ILE  59          HD11      ILE  59   2.972 -13.854   2.693
   10   HD12  ILE  59          HD12      ILE  59   3.239 -14.176   4.406
   11   HD11  ILE  59          HD13      ILE  59   1.807 -13.287   3.890

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   28
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   28
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   28
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   28
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   28
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   28
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   28
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   28
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LEU  74           H        LEU  74  -4.294 -13.683  -2.341
    2    HA   LEU  74           HA       LEU  74  -3.876 -12.581   0.164
    3    HB2  LEU  74           HB2      LEU  74  -2.967 -14.719  -0.507
    4    HB3  LEU  74           HB3      LEU  74  -1.971 -13.955  -1.740
    5    HG   LEU  74           HG       LEU  74  -0.711 -12.772   0.020
    6   HD11  LEU  74          HD11      LEU  74  -2.720 -14.178   1.768
    7   HD13  LEU  74          HD12      LEU  74  -2.214 -12.490   1.808
    8   HD12  LEU  74          HD13      LEU  74  -1.134 -13.749   2.407
    9   HD22  LEU  74          HD21      LEU  74   0.639 -14.622   0.517
   10   HD21  LEU  74          HD22      LEU  74  -0.325 -15.271  -0.798
   11   HD23  LEU  74          HD23      LEU  74  -0.746 -15.653   0.867

  No H/Q in entry =          11
  In of MODEL   28
    1    H    VAL  75           H        VAL  75  -2.677 -11.566  -2.933
    2    HA   VAL  75           HA       VAL  75  -0.718  -9.738  -1.902
    3    HB   VAL  75           HB       VAL  75  -2.028  -9.841  -4.638
    4   HG11  VAL  75          HG11      VAL  75   0.161  -8.222  -3.430
    5   HG13  VAL  75          HG12      VAL  75  -0.978  -7.798  -4.708
    6   HG12  VAL  75          HG13      VAL  75   0.417  -8.811  -5.071
    7   HG21  VAL  75          HG21      VAL  75   0.510 -11.126  -3.563
    8   HG23  VAL  75          HG22      VAL  75   0.086 -11.055  -5.272
    9   HG22  VAL  75          HG23      VAL  75  -0.930 -11.959  -4.151

  No H/Q in entry =           9
  In of MODEL   28
    1    H    HIS  76           H        HIS  76  -4.315  -9.309  -3.271
    2    HA   HIS  76           HA       HIS  76  -4.654  -6.547  -3.146
    3    HB2  HIS  76           HB2      HIS  76  -6.378  -8.127  -4.035
    4    HB3  HIS  76           HB3      HIS  76  -6.755  -8.604  -2.385
    5    HD1  HIS  76           HD1      HIS  76  -6.012  -4.986  -2.759
    6    HD2  HIS  76           HD2      HIS  76  -9.425  -7.400  -2.949
    7    HE1  HIS  76           HE1      HIS  76  -8.017  -3.422  -2.633

  No H/Q in entry =           7
  In of MODEL   28
    1    H    ALA  77           H        ALA  77  -4.693  -8.938  -0.590
    2    HA   ALA  77           HA       ALA  77  -5.512  -7.044   1.454
    3    HB3  ALA  77           HB1      ALA  77  -6.229  -9.209   1.955
    4    HB2  ALA  77           HB2      ALA  77  -4.791  -9.044   2.961
    5    HB1  ALA  77           HB3      ALA  77  -4.707  -9.943   1.447

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLN  78           H        GLN  78  -2.492  -8.766   0.559
    2    HA   GLN  78           HA       GLN  78  -0.912  -7.698   2.633
    3    HB2  GLN  78           HB2      GLN  78  -0.379  -9.640   1.044
    4    HB3  GLN  78           HB3      GLN  78   0.120  -8.408  -0.114
    5    HG2  GLN  78           HG2      GLN  78   1.708  -7.509   1.563
    6    HG3  GLN  78           HG3      GLN  78   1.245  -8.797   2.673
    7   HE21  GLN  78          HE21      GLN  78   0.981 -10.440  -0.076
    8   HE22  GLN  78          HE22      GLN  78   2.577 -10.971  -0.303

  No H/Q in entry =           8
  In of MODEL   28
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   28
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.178
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.801   2.200
    5    HD1  HIS  80           HD1      HIS  80  -6.858  -1.083   1.180
    6    HD2  HIS  80           HD2      HIS  80  -4.895  -3.333  -1.730
    7    HE1  HIS  80           HE1      HIS  80  -7.700  -0.244  -1.064
    8    HE2  HIS  80           HE2      HIS  80  -6.509  -1.611  -2.847

  No H/Q in entry =           8
  In of MODEL   28
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   28
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   28
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   28
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   28
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   28
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   28
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   28
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   28
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   28
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.421 -20.431  -4.407
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.477
    5    HG2  GLU   5           HG2      GLU   5  10.904 -19.849  -1.469
    6    HG3  GLU   5           HG3      GLU   5   9.490 -19.330  -2.385

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   28
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   28
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   28
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.038 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.727 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.322 -16.567   2.205
    6    HG3  MET   9           HG3      MET   9  11.609 -17.079   0.541
    7    HE1  MET   9           HE1      MET   9  11.883 -17.605   4.175
    8    HE3  MET   9           HE2      MET   9  13.612 -17.890   3.994
    9    HE2  MET   9           HE3      MET   9  12.549 -19.220   4.447

  No H/Q in entry =           9
  In of MODEL   28
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   28
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.310
    4   HG12  ILE  12          HG12      ILE  12  10.850 -11.569  -0.012
    5   HG13  ILE  12          HG13      ILE  12   9.631 -12.251   1.046
    6   HG21  ILE  12          HG21      ILE  12   9.725  -9.771   3.055
    7   HG23  ILE  12          HG22      ILE  12  10.856 -10.581   4.139
    8   HG22  ILE  12          HG23      ILE  12   9.517 -11.480   3.426
    9   HD12  ILE  12          HD11      ILE  12   9.864  -9.408   0.060
   10   HD11  ILE  12          HD12      ILE  12   8.814  -9.865   1.390
   11   HD13  ILE  12          HD13      ILE  12   8.559 -10.554  -0.207

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.634   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.816 -12.626   4.652
    5   HG13  ILE  13          HG13      ILE  13  15.294 -13.528   4.966
    6   HG21  ILE  13          HG21      ILE  13  16.111 -10.582   6.678
    7   HG23  ILE  13          HG22      ILE  13  17.351 -10.386   5.440
    8   HG22  ILE  13          HG23      ILE  13  17.094 -11.962   6.188
    9   HD11  ILE  13          HD11      ILE  13  14.421 -11.553   7.034
   10   HD13  ILE  13          HD12      ILE  13  15.233 -13.105   7.234
   11   HD12  ILE  13          HD13      ILE  13  13.504 -13.053   6.896

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   28
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   28
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   28
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   28
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   28
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   28
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   28
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   28
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   28
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   28
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   28
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   28
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   28
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   28
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   28
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   28
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.295  -1.676  -5.695
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.633
    5    HD1  HIS  52           HD1      HIS  52  17.480  -2.019  -9.287
    6    HD2  HIS  52           HD2      HIS  52  14.046  -0.947  -7.181
    7    HE1  HIS  52           HE1      HIS  52  15.835  -1.141 -11.000
    8    HE2  HIS  52           HE2      HIS  52  13.736  -0.482  -9.732

  No H/Q in entry =           8
  In of MODEL   28
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   28
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   28
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   28
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.804  -5.381 -11.838
    4    HG1  THR  56           HG1      THR  56  16.857  -3.034 -11.991
    5   HG21  THR  56          HG21      THR  56  16.058  -4.230 -14.053
    6   HG23  THR  56          HG22      THR  56  17.237  -5.527 -14.238
    7   HG22  THR  56          HG23      THR  56  17.774  -3.902 -13.823

  No H/Q in entry =           7
  In of MODEL   28
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   28
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.840  -7.161 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.897  -6.980 -14.832
    5   HG13  ILE  59          HG13      ILE  59   9.525  -7.879 -13.369
    6   HG21  ILE  59          HG21      ILE  59  13.403  -6.458 -14.322
    7   HG23  ILE  59          HG22      ILE  59  12.108  -5.313 -14.086
    8   HG22  ILE  59          HG23      ILE  59  12.069  -6.406 -15.461
    9   HD13  ILE  59          HD11      ILE  59   8.637  -5.686 -13.031
   10   HD12  ILE  59          HD12      ILE  59  10.119  -4.930 -13.613
   11   HD11  ILE  59          HD13      ILE  59  10.109  -5.772 -12.064

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   28
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   28
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   28
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   28
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   28
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   28
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   28
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   28
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LEU  74           H        LEU  74   7.014 -13.171  -8.613
    2    HA   LEU  74           HA       LEU  74   8.955 -11.244  -8.145
    3    HB2  LEU  74           HB2      LEU  74   8.300 -11.939 -10.368
    4    HB3  LEU  74           HB3      LEU  74   6.668 -11.326 -10.124
    5    HG   LEU  74           HG       LEU  74   7.566  -9.033  -9.946
    6   HD11  LEU  74          HD11      LEU  74  10.167 -10.517 -10.268
    7   HD13  LEU  74          HD12      LEU  74   9.751  -9.263  -9.102
    8   HD12  LEU  74          HD13      LEU  74  10.032  -8.840 -10.790
    9   HD22  LEU  74          HD21      LEU  74   7.734  -8.754 -12.269
   10   HD21  LEU  74          HD22      LEU  74   7.035 -10.360 -12.186
   11   HD23  LEU  74          HD23      LEU  74   8.763 -10.172 -12.455

  No H/Q in entry =          11
  In of MODEL   28
    1    H    VAL  75           H        VAL  75   5.488 -11.050  -7.813
    2    HA   VAL  75           HA       VAL  75   5.350  -8.248  -7.299
    3    HB   VAL  75           HB       VAL  75   3.443 -10.472  -6.509
    4   HG11  VAL  75          HG11      VAL  75   3.363  -7.494  -6.270
    5   HG13  VAL  75          HG12      VAL  75   2.689  -8.724  -5.200
    6   HG12  VAL  75          HG13      VAL  75   1.871  -8.324  -6.710
    7   HG21  VAL  75          HG21      VAL  75   3.569  -8.639  -8.931
    8   HG23  VAL  75          HG22      VAL  75   2.174  -9.639  -8.532
    9   HG22  VAL  75          HG23      VAL  75   3.717 -10.396  -8.920

  No H/Q in entry =           9
  In of MODEL   28
    1    H    HIS  76           H        HIS  76   5.576 -11.182  -5.110
    2    HA   HIS  76           HA       HIS  76   5.310  -9.906  -2.639
    3    HB2  HIS  76           HB2      HIS  76   5.466 -12.398  -3.037
    4    HB3  HIS  76           HB3      HIS  76   7.212 -12.191  -3.187
    5    HD1  HIS  76           HD1      HIS  76   5.306 -10.072  -0.768
    6    HD2  HIS  76           HD2      HIS  76   7.675 -13.502  -0.675
    7    HE1  HIS  76           HE1      HIS  76   5.837 -10.510   1.669

  No H/Q in entry =           7
  In of MODEL   28
    1    H    ALA  77           H        ALA  77   8.215 -10.427  -4.619
    2    HA   ALA  77           HA       ALA  77   9.987  -9.125  -2.791
    3    HB1  ALA  77           HB1      ALA  77  11.103 -10.530  -4.272
    4    HB3  ALA  77           HB2      ALA  77  11.406  -8.947  -4.987
    5    HB2  ALA  77           HB3      ALA  77  10.158  -9.992  -5.662

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLN  78           H        GLN  78   8.184  -8.070  -5.663
    2    HA   GLN  78           HA       GLN  78   9.284  -5.465  -5.800
    3    HB2  GLN  78           HB2      GLN  78   7.892  -6.731  -7.556
    4    HB3  GLN  78           HB3      GLN  78   6.481  -6.197  -6.643
    5    HG2  GLN  78           HG2      GLN  78   7.230  -3.851  -6.890
    6    HG3  GLN  78           HG3      GLN  78   8.599  -4.401  -7.854
    7   HE21  GLN  78          HE21      GLN  78   6.460  -6.583  -8.827
    8   HE22  GLN  78          HE22      GLN  78   5.678  -5.752 -10.084

  No H/Q in entry =           8
  In of MODEL   28
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   28
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.172  -7.450  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.037  -6.564   0.740
    5    HD1  HIS  80           HD1      HIS  80   9.473  -7.219   3.062
    6    HD2  HIS  80           HD2      HIS  80   6.363  -8.109   0.431
    7    HE1  HIS  80           HE1      HIS  80   7.673  -8.368   4.438
    8    HE2  HIS  80           HE2      HIS  80   5.771  -8.915   2.843

  No H/Q in entry =           8
  In of MODEL   28
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   28
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   28
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   28
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   28
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   28
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   28
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   28
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   28
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   28
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.105  -6.382 -21.732
    4    HB3  GLU   5           HB3      GLU   5   0.420  -5.149 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.483  -4.495 -21.797
    6    HG3  GLU   5           HG3      GLU   5   2.165  -5.677 -20.530

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   28
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   28
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   28
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.436 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.186  -0.974 -19.611
    6    HG3  MET   9           HG3      MET   9   3.638  -1.712 -20.022
    7    HE1  MET   9           HE1      MET   9   6.878  -0.260 -20.979
    8    HE3  MET   9           HE2      MET   9   6.056   0.817 -22.105
    9    HE2  MET   9           HE3      MET   9   7.084  -0.473 -22.723

  No H/Q in entry =           9
  In of MODEL   28
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   28
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.476   1.686 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.668   0.276 -14.892
    5   HG13  ILE  12          HG13      ILE  12   4.215  -0.542 -14.949
    6   HG21  ILE  12          HG21      ILE  12   5.635   1.636 -13.092
    7   HG23  ILE  12          HG22      ILE  12   6.269   2.523 -14.478
    8   HG22  ILE  12          HG23      ILE  12   6.296   0.761 -14.472
    9   HD12  ILE  12          HD11      ILE  12   2.832   0.660 -12.552
   10   HD11  ILE  12          HD12      ILE  12   4.524   0.193 -12.534
   11   HD13  ILE  12          HD13      ILE  12   3.280  -1.016 -12.828

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.813 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.819   3.925 -17.796
    5   HG13  ILE  13          HG13      ILE  13   5.629   4.712 -19.360
    6   HG21  ILE  13          HG21      ILE  13   6.425   7.541 -17.456
    7   HG23  ILE  13          HG22      ILE  13   4.774   8.053 -17.801
    8   HG22  ILE  13          HG23      ILE  13   5.772   7.374 -19.086
    9   HD11  ILE  13          HD11      ILE  13   7.572   5.924 -17.440
   10   HD13  ILE  13          HD12      ILE  13   7.641   5.828 -19.198
   11   HD12  ILE  13          HD13      ILE  13   8.030   4.412 -18.222

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   28
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   28
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   28
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   28
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   28
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   28
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   28
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   28
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   28
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   28
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   28
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   28
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   28
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   28
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   28
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   28
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.019  -8.741
    4    HB3  HIS  52           HB3      HIS  52  -7.513   7.702  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.748   6.241  -9.282
    6    HD2  HIS  52           HD2      HIS  52  -6.603   5.076  -6.806
    7    HE1  HIS  52           HE1      HIS  52 -10.749   4.727  -7.522
    8    HE2  HIS  52           HE2      HIS  52  -8.846   4.012  -5.996

  No H/Q in entry =           8
  In of MODEL   28
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   28
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   28
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   28
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.685   3.710 -12.039
    4    HG1  THR  56           HG1      THR  56 -11.822   4.123  -9.556
    5   HG22  THR  56          HG21      THR  56 -13.206   2.152  -9.913
    6   HG21  THR  56          HG22      THR  56 -13.574   2.087 -11.637
    7   HG23  THR  56          HG23      THR  56 -13.742   3.604 -10.757

  No H/Q in entry =           7
  In of MODEL   28
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   28
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.671  -1.964 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.925  -4.279  -8.946
    5   HG13  ILE  59          HG13      ILE  59  -9.384  -4.463  -9.769
    6   HG23  ILE  59          HG21      ILE  59 -11.942  -1.130 -10.320
    7   HG22  ILE  59          HG22      ILE  59 -11.493  -1.672  -8.724
    8   HG21  ILE  59          HG23      ILE  59 -12.546  -2.664  -9.719
    9   HD13  ILE  59          HD11      ILE  59  -8.770  -3.836  -7.580
   10   HD12  ILE  59          HD12      ILE  59 -10.064  -2.644  -7.472
   11   HD11  ILE  59          HD13      ILE  59  -8.663  -2.332  -8.496

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   28
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   28
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   28
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   28
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   28
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   28
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   28
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   28
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LEU  74           H        LEU  74  -3.302  -7.022 -13.396
    2    HA   LEU  74           HA       LEU  74  -3.932  -4.375 -12.849
    3    HB2  LEU  74           HB2      LEU  74  -5.593  -6.133 -12.869
    4    HB3  LEU  74           HB3      LEU  74  -4.803  -6.960 -11.534
    5    HG   LEU  74           HG       LEU  74  -5.315  -5.045 -10.058
    6   HD11  LEU  74          HD11      LEU  74  -6.451  -3.965 -12.629
    7   HD13  LEU  74          HD12      LEU  74  -5.409  -3.159 -11.458
    8   HD12  LEU  74          HD13      LEU  74  -7.108  -3.439 -11.081
    9   HD22  LEU  74          HD21      LEU  74  -7.522  -5.739  -9.671
   10   HD21  LEU  74          HD22      LEU  74  -6.945  -7.049 -10.687
   11   HD23  LEU  74          HD23      LEU  74  -7.914  -5.759 -11.389

  No H/Q in entry =          11
  In of MODEL   28
    1    H    VAL  75           H        VAL  75  -2.282  -6.739 -10.903
    2    HA   VAL  75           HA       VAL  75  -2.146  -5.203  -8.505
    3    HB   VAL  75           HB       VAL  75  -0.348  -7.447  -9.460
    4   HG11  VAL  75          HG11      VAL  75  -0.556  -5.879  -6.922
    5   HG13  VAL  75          HG12      VAL  75   0.870  -6.560  -7.703
    6   HG12  VAL  75          HG13      VAL  75  -0.224  -7.606  -6.800
    7   HG21  VAL  75          HG21      VAL  75  -2.860  -7.419  -7.745
    8   HG23  VAL  75          HG22      VAL  75  -1.797  -8.817  -7.910
    9   HG22  VAL  75          HG23      VAL  75  -2.659  -8.194  -9.315

  No H/Q in entry =           9
  In of MODEL   28
    1    H    HIS  76           H        HIS  76   0.146  -5.624 -11.329
    2    HA   HIS  76           HA       HIS  76   2.307  -4.147 -10.359
    3    HB2  HIS  76           HB2      HIS  76   2.213  -5.459 -12.525
    4    HB3  HIS  76           HB3      HIS  76   1.364  -4.082 -13.228
    5    HD1  HIS  76           HD1      HIS  76   4.005  -3.445 -10.671
    6    HD2  HIS  76           HD2      HIS  76   3.669  -3.427 -14.826
    7    HE1  HIS  76           HE1      HIS  76   6.079  -2.291 -11.552

  No H/Q in entry =           7
  In of MODEL   28
    1    H    ALA  77           H        ALA  77  -0.584  -3.043 -12.095
    2    HA   ALA  77           HA       ALA  77   0.167  -0.285 -12.081
    3    HB1  ALA  77           HB1      ALA  77  -1.426  -0.780 -13.706
    4    HB2  ALA  77           HB2      ALA  77  -2.418  -0.044 -12.448
    5    HB3  ALA  77           HB3      ALA  77  -2.374  -1.798 -12.620

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLN  78           H        GLN  78  -1.835  -2.316  -9.967
    2    HA   GLN  78           HA       GLN  78  -2.779  -0.223  -8.310
    3    HB2  GLN  78           HB2      GLN  78  -3.621  -2.648  -8.493
    4    HB3  GLN  78           HB3      GLN  78  -2.303  -3.059  -7.396
    5    HG2  GLN  78           HG2      GLN  78  -3.162  -1.397  -5.773
    6    HG3  GLN  78           HG3      GLN  78  -4.510  -1.057  -6.855
    7   HE21  GLN  78          HE21      GLN  78  -4.212  -4.184  -7.493
    8   HE22  GLN  78          HE22      GLN  78  -5.143  -4.873  -6.252

  No H/Q in entry =           8
  In of MODEL   28
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   28
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.313   0.894 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.971   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.386   2.737 -10.792
    6    HD2  HIS  80           HD2      HIS  80   4.409  -1.157  -9.674
    7    HE1  HIS  80           HE1      HIS  80   7.524   1.378 -10.977
    8    HE2  HIS  80           HE2      HIS  80   6.939  -1.001 -10.299

  No H/Q in entry =           8
  In of MODEL   28
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   28
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   28
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   28
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   28
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   28
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   28
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   28
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   28
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   28
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   28
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   28
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   28
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   28
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   28
    1    H    PHE   9           H        PHE   9 -21.289   0.637  -3.912
    2    HA   PHE   9           HA       PHE   9 -18.526   1.527  -4.528
    3    HB2  PHE   9           HB2      PHE   9 -20.356   2.447  -2.303
    4    HB3  PHE   9           HB3      PHE   9 -18.648   2.864  -2.431
    5    HD1  PHE   9           HD1      PHE   9 -22.002   3.455  -3.730
    6    HD2  PHE   9           HD2      PHE   9 -17.824   4.228  -4.345
    7    HE1  PHE   9           HE1      PHE   9 -22.573   5.298  -5.286
    8    HE2  PHE   9           HE2      PHE   9 -18.394   6.071  -5.905
    9    HZ   PHE   9           HZ       PHE   9 -20.770   6.606  -6.375

  No H/Q in entry =           9
  In of MODEL   28
    1    H    CYS  10           H        CYS  10 -16.935   0.920  -3.209
    2    HA   CYS  10           HA       CYS  10 -17.193  -0.728  -0.863
    3    HB2  CYS  10           HB2      CYS  10 -16.134  -2.698  -1.632
    4    HB3  CYS  10           HB3      CYS  10 -17.293  -2.317  -2.909

  No H/Q in entry =           4
  In of MODEL   28
    1    H    SER  11           H        SER  11 -14.455  -1.437  -0.385
    2    HA   SER  11           HA       SER  11 -13.465   1.173  -0.003
    3    HB2  SER  11           HB2      SER  11 -11.198  -0.188   0.267
    4    HB3  SER  11           HB3      SER  11 -12.457  -0.273   1.481
    5    HG   SER  11           HG       SER  11 -13.025  -2.234   0.787

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA  12           H        ALA  12 -12.206  -1.341  -2.335
    2    HA   ALA  12           HA       ALA  12 -10.814   0.884  -3.669
    3    HB2  ALA  12           HB1      ALA  12  -9.934  -1.551  -4.750
    4    HB1  ALA  12           HB2      ALA  12 -10.097  -1.845  -3.020
    5    HB3  ALA  12           HB3      ALA  12  -9.072  -0.532  -3.597

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLY  13           H        GLY  13 -13.035  -1.796  -4.208
    2    HA3  GLY  13           HA2      GLY  13 -14.817  -1.490  -5.829
    3    HA2  GLY  13           HA3      GLY  13 -13.655  -0.664  -6.860

  No H/Q in entry =           3
  In of MODEL   28
    1    H    MET  14           H        MET  14 -12.756  -3.638  -5.178
    2    HA   MET  14           HA       MET  14 -12.599  -4.916  -7.832
    3    HB2  MET  14           HB2      MET  14 -10.487  -4.640  -6.523
    4    HB3  MET  14           HB3      MET  14 -11.154  -5.731  -5.308
    5    HG2  MET  14           HG2      MET  14 -11.377  -7.504  -6.988
    6    HG3  MET  14           HG3      MET  14 -10.780  -6.416  -8.240
    7    HE1  MET  14           HE1      MET  14  -9.197  -7.904  -9.019
    8    HE3  MET  14           HE2      MET  14  -9.160  -9.237  -7.870
    9    HE2  MET  14           HE3      MET  14  -7.670  -8.389  -8.273

  No H/Q in entry =           9
  In of MODEL   28
    1    H    SER  15           H        SER  15 -12.862  -6.259  -4.550
    2    HA   SER  15           HA       SER  15 -14.063  -8.625  -5.204
    3    HB2  SER  15           HB2      SER  15 -13.412  -7.747  -2.880
    4    HB3  SER  15           HB3      SER  15 -15.043  -7.079  -2.823
    5    HG   SER  15           HG       SER  15 -14.251  -9.585  -2.407

  No H/Q in entry =           5
  In of MODEL   28
    1    H    THR  16           H        THR  16 -15.516  -5.468  -5.466
    2    HA   THR  16           HA       THR  16 -18.198  -6.686  -5.635
    3    HB   THR  16           HB       THR  16 -17.450  -3.767  -5.944
    4    HG1  THR  16           HG1      THR  16 -16.961  -4.924  -3.867
    5   HG21  THR  16          HG21      THR  16 -20.011  -5.315  -5.624
    6   HG23  THR  16          HG22      THR  16 -19.617  -4.055  -6.794
    7   HG22  THR  16          HG23      THR  16 -19.913  -3.631  -5.108

  No H/Q in entry =           7
  In of MODEL   28
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   28
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   28
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   28
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   28
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   28
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   28
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   28
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   28
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   28
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   28
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   28
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   28
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   28
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   28
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   28
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   28
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   28
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   28
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   28
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   28
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   28
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   28
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   28
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   28
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   28
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   28
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   28
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   28
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   28
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   28
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   28
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   28
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   28
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   28
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   28
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   28
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   28
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   28
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   28
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   28
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   28
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   28
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   28
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   28
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   28
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   28
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   28
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   28
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   28
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   28
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   28
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   29
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.303 -14.309  -2.708
    4    HB3  GLU   5           HB3      GLU   5 -14.709 -13.893  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.803 -12.524  -3.704
    6    HG3  GLU   5           HG3      GLU   5 -14.328 -11.476  -2.367

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   29
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   29
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   29
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.712  -8.424   1.553
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.703   1.332
    5    HG2  MET   9           HG2      MET   9 -14.253  -6.820  -0.979
    6    HG3  MET   9           HG3      MET   9 -13.816  -8.516  -0.773
    7    HE2  MET   9           HE1      MET   9 -17.811  -6.487  -1.185
    8    HE1  MET   9           HE2      MET   9 -16.269  -5.848  -0.628
    9    HE3  MET   9           HE3      MET   9 -17.341  -6.652   0.509

  No H/Q in entry =           9
  In of MODEL   29
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   29
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.381   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.256  -6.176   0.968
    5   HG13  ILE  12          HG13      ILE  12  -9.698  -5.423  -0.552
    6   HG21  ILE  12          HG21      ILE  12 -10.256  -2.045   0.908
    7   HG23  ILE  12          HG22      ILE  12 -10.250  -2.968  -0.596
    8   HG22  ILE  12          HG23      ILE  12  -8.733  -2.620   0.244
    9   HD12  ILE  12          HD11      ILE  12  -7.162  -5.034   1.046
   10   HD11  ILE  12          HD12      ILE  12  -7.632  -3.973  -0.270
   11   HD13  ILE  12          HD13      ILE  12  -7.343  -5.680  -0.577

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.608   5.229
    4   HG12  ILE  13          HG12      ILE  13 -13.497  -3.054   2.663
    5   HG13  ILE  13          HG13      ILE  13 -14.924  -3.519   3.575
    6   HG22  ILE  13          HG21      ILE  13 -15.159  -1.836   5.661
    7   HG21  ILE  13          HG22      ILE  13 -13.851  -0.665   5.487
    8   HG23  ILE  13          HG23      ILE  13 -13.771  -1.896   6.749
    9   HD12  ILE  13          HD11      ILE  13 -14.946  -1.358   2.026
   10   HD11  ILE  13          HD12      ILE  13 -14.217  -0.615   3.444
   11   HD13  ILE  13          HD13      ILE  13 -15.803  -1.373   3.565

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   29
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   29
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   29
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   29
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   29
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   29
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   29
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   29
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   29
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   29
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   29
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   29
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   29
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   29
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   29
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   29
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.934  -6.674  10.551
    4    HB3  HIS  52           HB3      HIS  52  -1.120  -7.733  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.215 -10.050  11.846
    6    HD2  HIS  52           HD2      HIS  52   1.287  -7.249   8.951
    7    HE1  HIS  52           HE1      HIS  52   2.430 -10.822  10.888
    8    HE2  HIS  52           HE2      HIS  52   3.098  -9.123   9.122

  No H/Q in entry =           8
  In of MODEL   29
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   29
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   29
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   29
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.221  10.983
    4    HG1  THR  56           HG1      THR  56  -0.284 -12.061   9.845
    5   HG22  THR  56          HG21      THR  56   1.854 -14.275  10.513
    6   HG21  THR  56          HG22      THR  56   0.943 -15.686   9.978
    7   HG23  THR  56          HG23      THR  56   0.877 -15.183  11.665

  No H/Q in entry =           7
  In of MODEL   29
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   29
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.633   4.909
    4   HG12  ILE  59          HG12      ILE  59   2.370 -16.268   3.430
    5   HG13  ILE  59          HG13      ILE  59   1.141 -15.312   2.616
    6   HG21  ILE  59          HG21      ILE  59   1.113 -16.013   6.801
    7   HG23  ILE  59          HG22      ILE  59   2.387 -15.063   6.086
    8   HG22  ILE  59          HG23      ILE  59   2.280 -16.781   5.740
    9   HD11  ILE  59          HD11      ILE  59   1.963 -13.343   4.067
   10   HD13  ILE  59          HD12      ILE  59   3.001 -13.860   2.738
   11   HD12  ILE  59          HD13      ILE  59   3.376 -14.348   4.390

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   29
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   29
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   29
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   29
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   29
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   29
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   29
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   29
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LEU  74           H        LEU  74  -4.205 -13.636  -2.386
    2    HA   LEU  74           HA       LEU  74  -3.786 -12.466   0.114
    3    HB2  LEU  74           HB2      LEU  74  -2.873 -14.626  -0.571
    4    HB3  LEU  74           HB3      LEU  74  -1.854 -13.836  -1.769
    5    HG   LEU  74           HG       LEU  74  -0.683 -12.632   0.049
    6   HD13  LEU  74          HD11      LEU  74  -2.245 -12.454   1.800
    7   HD12  LEU  74          HD12      LEU  74  -1.127 -13.679   2.396
    8   HD11  LEU  74          HD13      LEU  74  -2.682 -14.160   1.715
    9   HD22  LEU  74          HD21      LEU  74   0.714 -14.453   0.547
   10   HD21  LEU  74          HD22      LEU  74  -0.180 -15.086  -0.824
   11   HD23  LEU  74          HD23      LEU  74  -0.648 -15.540   0.810

  No H/Q in entry =          11
  In of MODEL   29
    1    H    VAL  75           H        VAL  75  -2.691 -11.558  -3.043
    2    HA   VAL  75           HA       VAL  75  -0.711  -9.665  -2.225
    3    HB   VAL  75           HB       VAL  75  -2.225 -10.085  -4.812
    4   HG12  VAL  75          HG11      VAL  75  -0.546  -8.483  -5.790
    5   HG11  VAL  75          HG12      VAL  75  -0.081  -8.050  -4.146
    6   HG13  VAL  75          HG13      VAL  75  -1.717  -7.725  -4.713
    7   HG22  VAL  75          HG21      VAL  75  -0.008 -10.865  -5.605
    8   HG21  VAL  75          HG22      VAL  75  -0.540 -11.798  -4.207
    9   HG23  VAL  75          HG23      VAL  75   0.673 -10.535  -4.012

  No H/Q in entry =           9
  In of MODEL   29
    1    H    HIS  76           H        HIS  76  -4.397  -9.262  -3.365
    2    HA   HIS  76           HA       HIS  76  -4.713  -6.491  -3.173
    3    HB2  HIS  76           HB2      HIS  76  -6.459  -8.058  -4.065
    4    HB3  HIS  76           HB3      HIS  76  -6.813  -8.549  -2.414
    5    HD1  HIS  76           HD1      HIS  76  -6.041  -4.933  -2.779
    6    HD2  HIS  76           HD2      HIS  76  -9.480  -7.315  -2.904
    7    HE1  HIS  76           HE1      HIS  76  -8.028  -3.352  -2.598

  No H/Q in entry =           7
  In of MODEL   29
    1    H    ALA  77           H        ALA  77  -4.700  -8.956  -0.674
    2    HA   ALA  77           HA       ALA  77  -5.524  -7.128   1.418
    3    HB2  ALA  77           HB1      ALA  77  -6.179  -9.324   1.870
    4    HB1  ALA  77           HB2      ALA  77  -4.741  -9.141   2.874
    5    HB3  ALA  77           HB3      ALA  77  -4.639 -10.003   1.340

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLN  78           H        GLN  78  -2.453  -8.798   0.538
    2    HA   GLN  78           HA       GLN  78  -0.942  -7.691   2.637
    3    HB2  GLN  78           HB2      GLN  78  -0.328  -9.639   1.106
    4    HB3  GLN  78           HB3      GLN  78   0.149  -8.428  -0.083
    5    HG2  GLN  78           HG2      GLN  78   1.714  -7.449   1.560
    6    HG3  GLN  78           HG3      GLN  78   1.259  -8.690   2.725
    7   HE21  GLN  78          HE21      GLN  78   3.958  -8.516   1.892
    8   HE22  GLN  78          HE22      GLN  78   4.327  -9.860   0.923

  No H/Q in entry =           8
  In of MODEL   29
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   29
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.191
    4    HB3  HIS  80           HB3      HIS  80  -5.393  -2.789   2.195
    5    HD1  HIS  80           HD1      HIS  80  -6.783  -1.018   1.143
    6    HD2  HIS  80           HD2      HIS  80  -4.960  -3.438  -1.721
    7    HE1  HIS  80           HE1      HIS  80  -7.636  -0.226  -1.114
    8    HE2  HIS  80           HE2      HIS  80  -6.531  -1.696  -2.870

  No H/Q in entry =           8
  In of MODEL   29
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   29
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   29
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   29
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   29
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   29
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   29
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   29
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   29
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   29
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.451 -20.447  -4.424
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.877  -3.440
    5    HG2  GLU   5           HG2      GLU   5   9.915 -21.078  -2.029
    6    HG3  GLU   5           HG3      GLU   5  10.776 -19.623  -1.527

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   29
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   29
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   29
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.036 -16.707   0.856
    4    HB3  MET   9           HB3      MET   9  13.731 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.337 -16.585   2.240
    6    HG3  MET   9           HG3      MET   9  11.585 -17.046   0.555
    7    HE2  MET   9           HE1      MET   9  12.571 -19.202   4.399
    8    HE1  MET   9           HE2      MET   9  12.310 -17.486   4.100
    9    HE3  MET   9           HE3      MET   9  13.903 -18.189   3.831

  No H/Q in entry =           9
  In of MODEL   29
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   29
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.312
    4   HG12  ILE  12          HG12      ILE  12  10.852 -11.575  -0.010
    5   HG13  ILE  12          HG13      ILE  12   9.629 -12.250   1.048
    6   HG23  ILE  12          HG21      ILE  12  10.857 -10.590   4.138
    7   HG22  ILE  12          HG22      ILE  12   9.504 -11.467   3.423
    8   HG21  ILE  12          HG23      ILE  12   9.741  -9.759   3.058
    9   HD12  ILE  12          HD11      ILE  12   9.875  -9.407   0.062
   10   HD11  ILE  12          HD12      ILE  12   8.812  -9.866   1.380
   11   HD13  ILE  12          HD13      ILE  12   8.571 -10.551  -0.221

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.098 -11.639   3.843
    4   HG12  ILE  13          HG12      ILE  13  13.810 -12.620   4.674
    5   HG13  ILE  13          HG13      ILE  13  15.289 -13.527   4.971
    6   HG22  ILE  13          HG21      ILE  13  16.996 -11.962   6.284
    7   HG21  ILE  13          HG22      ILE  13  16.153 -10.447   6.602
    8   HG23  ILE  13          HG23      ILE  13  17.433 -10.507   5.389
    9   HD12  ILE  13          HD11      ILE  13  13.533 -13.057   6.929
   10   HD11  ILE  13          HD12      ILE  13  14.434 -11.547   7.041
   11   HD13  ILE  13          HD13      ILE  13  15.268 -13.087   7.240

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   29
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   29
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   29
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   29
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   29
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   29
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   29
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   29
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   29
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   29
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   29
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   29
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   29
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   29
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   29
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   29
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.299  -1.676  -5.693
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.638
    5    HD1  HIS  52           HD1      HIS  52  17.473  -2.001  -9.288
    6    HD2  HIS  52           HD2      HIS  52  14.036  -0.964  -7.169
    7    HE1  HIS  52           HE1      HIS  52  15.818  -1.127 -10.993
    8    HE2  HIS  52           HE2      HIS  52  13.717  -0.489  -9.717

  No H/Q in entry =           8
  In of MODEL   29
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   29
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   29
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   29
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.066
    4    HG1  THR  56           HG1      THR  56  16.168  -4.227 -10.534
    5   HG22  THR  56          HG21      THR  56  16.199  -3.466 -13.593
    6   HG21  THR  56          HG22      THR  56  16.302  -5.092 -14.265
    7   HG23  THR  56          HG23      THR  56  17.772  -4.167 -13.970

  No H/Q in entry =           7
  In of MODEL   29
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   29
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.835  -7.163 -12.525
    4   HG12  ILE  59          HG12      ILE  59   9.891  -7.055 -14.842
    5   HG13  ILE  59          HG13      ILE  59   9.520  -7.836 -13.313
    6   HG21  ILE  59          HG21      ILE  59  13.408  -6.457 -14.307
    7   HG23  ILE  59          HG22      ILE  59  12.110  -5.313 -14.084
    8   HG22  ILE  59          HG23      ILE  59  12.085  -6.407 -15.457
    9   HD11  ILE  59          HD11      ILE  59  10.212  -5.609 -12.211
   10   HD13  ILE  59          HD12      ILE  59   8.664  -5.650 -13.054
   11   HD12  ILE  59          HD13      ILE  59  10.070  -4.921 -13.828

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   29
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   29
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   29
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   29
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   29
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   29
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   29
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   29
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LEU  74           H        LEU  74   6.931 -13.100  -8.616
    2    HA   LEU  74           HA       LEU  74   8.861 -11.147  -8.089
    3    HB2  LEU  74           HB2      LEU  74   8.193 -11.847 -10.332
    4    HB3  LEU  74           HB3      LEU  74   6.581 -11.189 -10.080
    5    HG   LEU  74           HG       LEU  74   7.567  -8.927  -9.836
    6   HD13  LEU  74          HD11      LEU  74   9.758  -9.270  -9.053
    7   HD12  LEU  74          HD12      LEU  74  10.014  -8.804 -10.733
    8   HD11  LEU  74          HD13      LEU  74  10.104 -10.501 -10.266
    9   HD22  LEU  74          HD21      LEU  74   7.707  -8.589 -12.157
   10   HD21  LEU  74          HD22      LEU  74   6.920 -10.156 -12.094
   11   HD23  LEU  74          HD23      LEU  74   8.649 -10.058 -12.403

  No H/Q in entry =          11
  In of MODEL   29
    1    H    VAL  75           H        VAL  75   5.400 -11.111  -7.749
    2    HA   VAL  75           HA       VAL  75   5.061  -8.346  -7.189
    3    HB   VAL  75           HB       VAL  75   3.414 -10.795  -6.533
    4   HG12  VAL  75          HG11      VAL  75   1.620  -9.177  -5.871
    5   HG11  VAL  75          HG12      VAL  75   2.816  -7.882  -5.932
    6   HG13  VAL  75          HG13      VAL  75   2.990  -9.189  -4.761
    7   HG22  VAL  75          HG21      VAL  75   1.896  -9.817  -8.234
    8   HG21  VAL  75          HG22      VAL  75   3.503 -10.084  -8.907
    9   HG23  VAL  75          HG23      VAL  75   3.005  -8.461  -8.437

  No H/Q in entry =           9
  In of MODEL   29
    1    H    HIS  76           H        HIS  76   5.542 -11.251  -4.992
    2    HA   HIS  76           HA       HIS  76   5.328  -9.920  -2.533
    3    HB2  HIS  76           HB2      HIS  76   5.585 -12.462  -3.049
    4    HB3  HIS  76           HB3      HIS  76   7.316 -12.135  -2.931
    5    HD1  HIS  76           HD1      HIS  76   7.992 -12.889  -0.645
    6    HD2  HIS  76           HD2      HIS  76   4.412 -10.753  -0.561
    7    HE1  HIS  76           HE1      HIS  76   7.364 -12.638   1.795

  No H/Q in entry =           7
  In of MODEL   29
    1    H    ALA  77           H        ALA  77   8.156 -10.459  -4.616
    2    HA   ALA  77           HA       ALA  77  10.002  -9.177  -2.861
    3    HB1  ALA  77           HB1      ALA  77  11.037 -10.586  -4.399
    4    HB3  ALA  77           HB2      ALA  77  11.344  -8.998  -5.101
    5    HB2  ALA  77           HB3      ALA  77  10.054 -10.011  -5.747

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLN  78           H        GLN  78   8.148  -8.058  -5.696
    2    HA   GLN  78           HA       GLN  78   9.299  -5.470  -5.777
    3    HB2  GLN  78           HB2      GLN  78   7.931  -6.662  -7.587
    4    HB3  GLN  78           HB3      GLN  78   6.503  -6.170  -6.678
    5    HG2  GLN  78           HG2      GLN  78   7.217  -3.813  -6.842
    6    HG3  GLN  78           HG3      GLN  78   8.626  -4.309  -7.778
    7   HE21  GLN  78          HE21      GLN  78   6.752  -2.537  -8.944
    8   HE22  GLN  78          HE22      GLN  78   5.913  -3.352 -10.175

  No H/Q in entry =           8
  In of MODEL   29
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   29
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.184  -7.445  -0.520
    4    HB3  HIS  80           HB3      HIS  80  10.031  -6.562   0.752
    5    HD1  HIS  80           HD1      HIS  80   9.398  -7.144   3.083
    6    HD2  HIS  80           HD2      HIS  80   6.413  -8.209   0.374
    7    HE1  HIS  80           HE1      HIS  80   7.597  -8.332   4.425
    8    HE2  HIS  80           HE2      HIS  80   5.772  -8.986   2.782

  No H/Q in entry =           8
  In of MODEL   29
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   29
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   29
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   29
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   29
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   29
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   29
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   29
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   29
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   29
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.079  -6.375 -21.761
    4    HB3  GLU   5           HB3      GLU   5   0.453  -5.129 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.546  -6.100 -22.269
    6    HG3  GLU   5           HG3      GLU   5   2.453  -4.503 -21.533

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   29
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   29
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   29
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.436 -21.000
    4    HB3  MET   9           HB3      MET   9   4.427   1.168 -20.551
    5    HG2  MET   9           HG2      MET   9   5.207  -0.964 -19.639
    6    HG3  MET   9           HG3      MET   9   3.647  -1.708 -19.987
    7    HE2  MET   9           HE1      MET   9   7.030  -0.476 -22.706
    8    HE1  MET   9           HE2      MET   9   6.613   0.090 -21.090
    9    HE3  MET   9           HE3      MET   9   5.835   0.811 -22.498

  No H/Q in entry =           9
  In of MODEL   29
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   29
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.476   1.687 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.669   0.275 -14.895
    5   HG13  ILE  12          HG13      ILE  12   4.216  -0.542 -14.947
    6   HG23  ILE  12          HG21      ILE  12   6.269   2.520 -14.490
    7   HG22  ILE  12          HG22      ILE  12   6.296   0.757 -14.457
    8   HG21  ILE  12          HG23      ILE  12   5.633   1.653 -13.093
    9   HD12  ILE  12          HD11      ILE  12   2.834   0.670 -12.554
   10   HD11  ILE  12          HD12      ILE  12   4.520   0.184 -12.533
   11   HD13  ILE  12          HD13      ILE  12   3.264  -1.010 -12.829

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.807 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.838   3.933 -17.790
    5   HG13  ILE  13          HG13      ILE  13   5.631   4.709 -19.357
    6   HG22  ILE  13          HG21      ILE  13   5.893   7.341 -19.049
    7   HG21  ILE  13          HG22      ILE  13   6.331   7.602 -17.361
    8   HG23  ILE  13          HG23      ILE  13   4.719   8.035 -17.930
    9   HD12  ILE  13          HD11      ILE  13   8.047   4.443 -18.249
   10   HD11  ILE  13          HD12      ILE  13   7.571   5.935 -17.442
   11   HD13  ILE  13          HD13      ILE  13   7.627   5.865 -19.202

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   29
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   29
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   29
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   29
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   29
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   29
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   29
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   29
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   29
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   29
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   29
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   29
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   29
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   29
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   29
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   29
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.023  -8.743
    4    HB3  HIS  52           HB3      HIS  52  -7.516   7.700  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.749   6.245  -9.267
    6    HD2  HIS  52           HD2      HIS  52  -6.591   5.067  -6.815
    7    HE1  HIS  52           HE1      HIS  52 -10.742   4.727  -7.507
    8    HE2  HIS  52           HE2      HIS  52  -8.831   4.003  -5.995

  No H/Q in entry =           8
  In of MODEL   29
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   29
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   29
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   29
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.904   3.586 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.036   3.591 -10.333
    5   HG22  THR  56          HG21      THR  56 -12.945   2.786  -9.428
    6   HG21  THR  56          HG22      THR  56 -13.303   1.677 -10.751
    7   HG23  THR  56          HG23      THR  56 -13.809   3.361 -10.854

  No H/Q in entry =           7
  In of MODEL   29
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   29
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.662  -1.973 -10.404
    4   HG12  ILE  59          HG12      ILE  59 -10.935  -4.342  -9.026
    5   HG13  ILE  59          HG13      ILE  59  -9.326  -4.412  -9.726
    6   HG23  ILE  59          HG21      ILE  59 -11.925  -1.114 -10.331
    7   HG22  ILE  59          HG22      ILE  59 -11.489  -1.656  -8.731
    8   HG21  ILE  59          HG23      ILE  59 -12.548  -2.639  -9.729
    9   HD11  ILE  59          HD11      ILE  59  -8.886  -2.244  -8.345
   10   HD13  ILE  59          HD12      ILE  59  -8.876  -3.798  -7.514
   11   HD12  ILE  59          HD13      ILE  59 -10.295  -2.757  -7.417

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   29
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   29
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   29
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   29
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   29
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   29
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   29
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   29
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LEU  74           H        LEU  74  -3.291  -7.037 -13.316
    2    HA   LEU  74           HA       LEU  74  -3.876  -4.377 -12.700
    3    HB2  LEU  74           HB2      LEU  74  -5.525  -6.185 -12.716
    4    HB3  LEU  74           HB3      LEU  74  -4.727  -6.956 -11.352
    5    HG   LEU  74           HG       LEU  74  -5.235  -4.971  -9.959
    6   HD13  LEU  74          HD11      LEU  74  -5.367  -3.165 -11.462
    7   HD12  LEU  74          HD12      LEU  74  -7.053  -3.435 -11.022
    8   HD11  LEU  74          HD13      LEU  74  -6.436  -4.033 -12.562
    9   HD22  LEU  74          HD21      LEU  74  -7.441  -5.659  -9.520
   10   HD21  LEU  74          HD22      LEU  74  -6.837  -7.024 -10.443
   11   HD23  LEU  74          HD23      LEU  74  -7.831  -5.806 -11.233

  No H/Q in entry =          11
  In of MODEL   29
    1    H    VAL  75           H        VAL  75  -2.166  -6.819 -10.911
    2    HA   VAL  75           HA       VAL  75  -1.903  -5.434  -8.446
    3    HB   VAL  75           HB       VAL  75  -0.292  -7.648  -9.722
    4   HG12  VAL  75          HG11      VAL  75   0.794  -7.883  -7.478
    5   HG11  VAL  75          HG12      VAL  75   0.053  -6.357  -6.998
    6   HG13  VAL  75          HG13      VAL  75   1.236  -6.389  -8.305
    7   HG22  VAL  75          HG21      VAL  75  -1.366  -8.997  -7.938
    8   HG21  VAL  75          HG22      VAL  75  -2.583  -8.203  -8.938
    9   HG23  VAL  75          HG23      VAL  75  -2.188  -7.554  -7.348

  No H/Q in entry =           9
  In of MODEL   29
    1    H    HIS  76           H        HIS  76   0.283  -5.629 -11.385
    2    HA   HIS  76           HA       HIS  76   2.403  -4.088 -10.391
    3    HB2  HIS  76           HB2      HIS  76   2.177  -5.391 -12.640
    4    HB3  HIS  76           HB3      HIS  76   1.542  -3.865 -13.258
    5    HD1  HIS  76           HD1      HIS  76   3.450  -2.818 -14.493
    6    HD2  HIS  76           HD2      HIS  76   4.658  -4.361 -10.815
    7    HE1  HIS  76           HE1      HIS  76   5.875  -2.152 -14.199

  No H/Q in entry =           7
  In of MODEL   29
    1    H    ALA  77           H        ALA  77  -0.550  -3.094 -12.099
    2    HA   ALA  77           HA       ALA  77   0.099  -0.319 -12.123
    3    HB2  ALA  77           HB1      ALA  77  -1.511  -0.904 -13.705
    4    HB3  ALA  77           HB2      ALA  77  -2.495  -0.161 -12.445
    5    HB1  ALA  77           HB3      ALA  77  -2.409  -1.917 -12.573

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLN  78           H        GLN  78  -1.850  -2.350  -9.937
    2    HA   GLN  78           HA       GLN  78  -2.768  -0.209  -8.319
    3    HB2  GLN  78           HB2      GLN  78  -3.670  -2.604  -8.453
    4    HB3  GLN  78           HB3      GLN  78  -2.341  -3.048  -7.382
    5    HG2  GLN  78           HG2      GLN  78  -3.121  -1.376  -5.740
    6    HG3  GLN  78           HG3      GLN  78  -4.470  -0.974  -6.799
    7   HE21  GLN  78          HE21      GLN  78  -4.989  -1.977  -4.196
    8   HE22  GLN  78          HE22      GLN  78  -5.640  -3.539  -4.329

  No H/Q in entry =           8
  In of MODEL   29
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   29
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.305   0.905 -10.476
    4    HB3  HIS  80           HB3      HIS  80   2.984   2.522 -10.288
    5    HD1  HIS  80           HD1      HIS  80   5.424   2.729 -10.693
    6    HD2  HIS  80           HD2      HIS  80   4.352  -1.194  -9.778
    7    HE1  HIS  80           HE1      HIS  80   7.538   1.337 -10.907
    8    HE2  HIS  80           HE2      HIS  80   6.896  -1.059 -10.352

  No H/Q in entry =           8
  In of MODEL   29
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   29
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   29
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   29
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   29
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   29
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   29
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   29
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   29
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   29
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   29
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   29
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   29
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   29
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   29
    1    H    PHE   9           H        PHE   9 -21.288   0.645  -3.909
    2    HA   PHE   9           HA       PHE   9 -18.528   1.543  -4.531
    3    HB2  PHE   9           HB2      PHE   9 -20.368   2.465  -2.317
    4    HB3  PHE   9           HB3      PHE   9 -18.658   2.878  -2.427
    5    HD1  PHE   9           HD1      PHE   9 -21.997   3.518  -3.714
    6    HD2  PHE   9           HD2      PHE   9 -17.810   4.197  -4.381
    7    HE1  PHE   9           HE1      PHE   9 -22.547   5.361  -5.277
    8    HE2  PHE   9           HE2      PHE   9 -18.360   6.041  -5.948
    9    HZ   PHE   9           HZ       PHE   9 -20.729   6.623  -6.395

  No H/Q in entry =           9
  In of MODEL   29
    1    H    CYS  10           H        CYS  10 -16.931   0.954  -3.194
    2    HA   CYS  10           HA       CYS  10 -17.181  -0.687  -0.847
    3    HB2  CYS  10           HB2      CYS  10 -16.131  -2.668  -1.612
    4    HB3  CYS  10           HB3      CYS  10 -17.316  -2.295  -2.868

  No H/Q in entry =           4
  In of MODEL   29
    1    H    SER  11           H        SER  11 -14.463  -1.415  -0.371
    2    HA   SER  11           HA       SER  11 -13.439   1.176  -0.005
    3    HB2  SER  11           HB2      SER  11 -12.188  -1.546   0.175
    4    HB3  SER  11           HB3      SER  11 -11.204  -0.109   0.357
    5    HG   SER  11           HG       SER  11 -11.992   0.103   2.283

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA  12           H        ALA  12 -12.201  -1.345  -2.340
    2    HA   ALA  12           HA       ALA  12 -10.809   0.877  -3.681
    3    HB1  ALA  12           HB1      ALA  12 -10.074  -1.834  -2.990
    4    HB3  ALA  12           HB2      ALA  12  -9.054  -0.519  -3.570
    5    HB2  ALA  12           HB3      ALA  12  -9.887  -1.561  -4.722

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLY  13           H        GLY  13 -13.069  -1.769  -4.179
    2    HA3  GLY  13           HA2      GLY  13 -14.802  -1.511  -5.842
    3    HA2  GLY  13           HA3      GLY  13 -13.625  -0.699  -6.868

  No H/Q in entry =           3
  In of MODEL   29
    1    H    MET  14           H        MET  14 -12.706  -3.644  -5.141
    2    HA   MET  14           HA       MET  14 -12.508  -4.943  -7.778
    3    HB2  MET  14           HB2      MET  14 -10.459  -4.673  -6.316
    4    HB3  MET  14           HB3      MET  14 -11.187  -5.851  -5.223
    5    HG2  MET  14           HG2      MET  14 -11.464  -7.299  -7.387
    6    HG3  MET  14           HG3      MET  14 -10.220  -6.238  -8.046
    7    HE2  MET  14           HE1      MET  14  -7.586  -7.147  -7.798
    8    HE1  MET  14           HE2      MET  14  -8.904  -8.018  -8.575
    9    HE3  MET  14           HE3      MET  14  -7.790  -8.881  -7.520

  No H/Q in entry =           9
  In of MODEL   29
    1    H    SER  15           H        SER  15 -12.855  -6.310  -4.531
    2    HA   SER  15           HA       SER  15 -14.085  -8.649  -5.216
    3    HB2  SER  15           HB2      SER  15 -13.438  -7.778  -2.876
    4    HB3  SER  15           HB3      SER  15 -15.080  -7.136  -2.823
    5    HG   SER  15           HG       SER  15 -15.880  -9.137  -2.897

  No H/Q in entry =           5
  In of MODEL   29
    1    H    THR  16           H        THR  16 -15.516  -5.467  -5.465
    2    HA   THR  16           HA       THR  16 -18.199  -6.683  -5.636
    3    HB   THR  16           HB       THR  16 -17.449  -3.765  -5.947
    4    HG1  THR  16           HG1      THR  16 -17.033  -3.943  -3.898
    5   HG23  THR  16          HG21      THR  16 -19.617  -4.054  -6.798
    6   HG22  THR  16          HG22      THR  16 -19.912  -3.628  -5.111
    7   HG21  THR  16          HG23      THR  16 -20.011  -5.312  -5.625

  No H/Q in entry =           7
  In of MODEL   29
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   29
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   29
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   29
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   29
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   29
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   29
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   29
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   29
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   29
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   29
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   29
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   29
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   29
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   29
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   29
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   29
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   29
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   29
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   29
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   29
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   29
    1    HA   PRO  58           HA       PRO  58 -23.311  -4.451   3.148
    2    HB2  PRO  58           HB2      PRO  58 -21.603  -6.873   3.254
    3    HB3  PRO  58           HB3      PRO  58 -23.364  -6.721   3.386
    4    HG2  PRO  58           HG2      PRO  58 -22.177  -7.716   1.201
    5    HG3  PRO  58           HG3      PRO  58 -23.675  -6.774   1.122
    6    HD2  PRO  58           HD2      PRO  58 -20.883  -5.928   0.414
    7    HD3  PRO  58           HD3      PRO  58 -22.438  -5.473  -0.321

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   29
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   29
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   29
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   29
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   29
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   29
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   29
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   29
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   29
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   29
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   29
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   29
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   29
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   29
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   29
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   29
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   29
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   29
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   29
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   29
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   29
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   29
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   29
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   29
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   29
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   29
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   29
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   29
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   29
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   29
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   30
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.286 -14.281  -2.731
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.931  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.578 -11.560  -2.349
    6    HG3  GLU   5           HG3      GLU   5 -13.139 -11.872  -3.320

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   30
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   30
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   30
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.711  -8.424   1.553
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.703   1.332
    5    HG2  MET   9           HG2      MET   9 -14.285  -6.811  -0.977
    6    HG3  MET   9           HG3      MET   9 -13.794  -8.493  -0.779
    7    HE1  MET   9           HE1      MET   9 -16.334  -5.898  -0.629
    8    HE3  MET   9           HE2      MET   9 -17.346  -6.742   0.539
    9    HE2  MET   9           HE3      MET   9 -17.873  -6.604  -1.131

  No H/Q in entry =           9
  In of MODEL   30
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   30
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.958  -4.313   1.271
    4   HG12  ILE  12          HG12      ILE  12  -9.583  -6.244   0.898
    5   HG13  ILE  12          HG13      ILE  12  -9.588  -5.333  -0.600
    6   HG21  ILE  12          HG21      ILE  12  -8.650  -2.600   0.358
    7   HG23  ILE  12          HG22      ILE  12 -10.293  -2.077   0.734
    8   HG22  ILE  12          HG23      ILE  12  -9.982  -3.091  -0.680
    9   HD11  ILE  12          HD11      ILE  12  -7.384  -4.306   0.245
   10   HD13  ILE  12          HD12      ILE  12  -7.342  -5.987  -0.255
   11   HD12  ILE  12          HD13      ILE  12  -7.410  -5.580   1.454

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.604   5.238
    4   HG12  ILE  13          HG12      ILE  13 -13.487  -3.062   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.911  -3.540   3.574
    6   HG23  ILE  13          HG21      ILE  13 -13.730  -1.833   6.732
    7   HG22  ILE  13          HG22      ILE  13 -15.159  -1.878   5.698
    8   HG21  ILE  13          HG23      ILE  13 -13.913  -0.660   5.427
    9   HD11  ILE  13          HD11      ILE  13 -14.178  -0.629   3.302
   10   HD13  ILE  13          HD12      ILE  13 -15.746  -1.339   3.664
   11   HD12  ILE  13          HD13      ILE  13 -15.085  -1.454   2.035

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   30
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   30
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   30
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   30
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   30
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   30
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   30
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   30
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   30
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   30
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   30
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   30
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   30
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   30
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   30
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   30
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.964  -6.661  10.590
    4    HB3  HIS  52           HB3      HIS  52  -1.094  -7.777  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.213 -10.135  11.612
    6    HD2  HIS  52           HD2      HIS  52   1.307  -7.047   9.034
    7    HE1  HIS  52           HE1      HIS  52   2.441 -10.798  10.605
    8    HE2  HIS  52           HE2      HIS  52   3.122  -8.924   9.032

  No H/Q in entry =           8
  In of MODEL   30
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   30
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   30
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   30
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.217  10.983
    4    HG1  THR  56           HG1      THR  56   0.888 -12.403  10.100
    5   HG23  THR  56          HG21      THR  56   0.896 -15.179  11.671
    6   HG22  THR  56          HG22      THR  56   1.849 -14.281  10.491
    7   HG21  THR  56          HG23      THR  56   0.925 -15.694   9.985

  No H/Q in entry =           7
  In of MODEL   30
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   30
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.632   4.902
    4   HG12  ILE  59          HG12      ILE  59   2.372 -16.278   3.438
    5   HG13  ILE  59          HG13      ILE  59   1.152 -15.317   2.617
    6   HG21  ILE  59          HG21      ILE  59   1.105 -15.980   6.809
    7   HG23  ILE  59          HG22      ILE  59   2.398 -15.069   6.075
    8   HG22  ILE  59          HG23      ILE  59   2.255 -16.792   5.763
    9   HD11  ILE  59          HD11      ILE  59   1.985 -13.361   4.102
   10   HD13  ILE  59          HD12      ILE  59   2.989 -13.854   2.739
   11   HD12  ILE  59          HD13      ILE  59   3.404 -14.372   4.372

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   30
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   30
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   30
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   30
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   30
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   30
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   30
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   30
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LEU  74           H        LEU  74  -4.295 -13.680  -2.349
    2    HA   LEU  74           HA       LEU  74  -3.899 -12.587   0.168
    3    HB2  LEU  74           HB2      LEU  74  -3.000 -14.732  -0.493
    4    HB3  LEU  74           HB3      LEU  74  -1.989 -13.977  -1.720
    5    HG   LEU  74           HG       LEU  74  -0.758 -12.780   0.071
    6   HD13  LEU  74          HD11      LEU  74  -2.244 -12.576   1.872
    7   HD12  LEU  74          HD12      LEU  74  -1.170 -13.860   2.424
    8   HD11  LEU  74          HD13      LEU  74  -2.759 -14.259   1.770
    9   HD21  LEU  74          HD21      LEU  74  -0.318 -15.254  -0.822
   10   HD23  LEU  74          HD22      LEU  74  -0.734 -15.687   0.826
   11   HD22  LEU  74          HD23      LEU  74   0.621 -14.607   0.521

  No H/Q in entry =          11
  In of MODEL   30
    1    H    VAL  75           H        VAL  75  -2.616 -11.615  -2.914
    2    HA   VAL  75           HA       VAL  75  -0.669  -9.789  -1.875
    3    HB   VAL  75           HB       VAL  75  -1.966  -9.911  -4.617
    4   HG12  VAL  75          HG11      VAL  75   0.444  -8.835  -5.068
    5   HG11  VAL  75          HG12      VAL  75   0.209  -8.254  -3.421
    6   HG13  VAL  75          HG13      VAL  75  -0.958  -7.843  -4.676
    7   HG21  VAL  75          HG21      VAL  75  -0.769 -12.003  -3.929
    8   HG23  VAL  75          HG22      VAL  75   0.686 -11.047  -3.654
    9   HG22  VAL  75          HG23      VAL  75   0.018 -11.183  -5.278

  No H/Q in entry =           9
  In of MODEL   30
    1    H    HIS  76           H        HIS  76  -4.274  -9.357  -3.211
    2    HA   HIS  76           HA       HIS  76  -4.582  -6.581  -3.099
    3    HB2  HIS  76           HB2      HIS  76  -6.318  -8.094  -4.027
    4    HB3  HIS  76           HB3      HIS  76  -6.688  -8.656  -2.403
    5    HD1  HIS  76           HD1      HIS  76  -5.980  -5.077  -2.293
    6    HD2  HIS  76           HD2      HIS  76  -9.352  -7.383  -3.199
    7    HE1  HIS  76           HE1      HIS  76  -7.985  -3.514  -2.163

  No H/Q in entry =           7
  In of MODEL   30
    1    H    ALA  77           H        ALA  77  -4.651  -8.980  -0.561
    2    HA   ALA  77           HA       ALA  77  -5.492  -7.095   1.480
    3    HB3  ALA  77           HB1      ALA  77  -6.200  -9.257   1.985
    4    HB2  ALA  77           HB2      ALA  77  -4.755  -9.100   2.984
    5    HB1  ALA  77           HB3      ALA  77  -4.682  -9.991   1.464

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLN  78           H        GLN  78  -2.462  -8.755   0.554
    2    HA   GLN  78           HA       GLN  78  -0.894  -7.683   2.651
    3    HB2  GLN  78           HB2      GLN  78  -0.341  -9.636   1.088
    4    HB3  GLN  78           HB3      GLN  78   0.141  -8.416  -0.090
    5    HG2  GLN  78           HG2      GLN  78   1.732  -7.479   1.557
    6    HG3  GLN  78           HG3      GLN  78   1.279  -8.741   2.700
    7   HE21  GLN  78          HE21      GLN  78   3.971  -8.563   1.826
    8   HE22  GLN  78          HE22      GLN  78   4.314  -9.893   0.829

  No H/Q in entry =           8
  In of MODEL   30
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   30
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.202   1.173
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.805   2.202
    5    HD1  HIS  80           HD1      HIS  80  -6.577  -0.854   1.160
    6    HD2  HIS  80           HD2      HIS  80  -5.178  -3.546  -1.699
    7    HE1  HIS  80           HE1      HIS  80  -7.490  -0.067  -1.075
    8    HE2  HIS  80           HE2      HIS  80  -6.644  -1.703  -2.827

  No H/Q in entry =           8
  In of MODEL   30
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   30
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   30
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   30
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   30
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   30
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   30
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   30
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   30
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   30
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.421 -20.431  -4.407
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.478
    5    HG2  GLU   5           HG2      GLU   5  10.905 -19.849  -1.469
    6    HG3  GLU   5           HG3      GLU   5   9.489 -19.331  -2.384

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   30
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   30
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   30
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.041 -16.705   0.860
    4    HB3  MET   9           HB3      MET   9  13.724 -16.163   2.508
    5    HG2  MET   9           HG2      MET   9  11.342 -16.603   2.242
    6    HG3  MET   9           HG3      MET   9  11.582 -17.031   0.548
    7    HE1  MET   9           HE1      MET   9  12.370 -17.538   4.083
    8    HE3  MET   9           HE2      MET   9  13.964 -18.207   3.744
    9    HE2  MET   9           HE3      MET   9  12.680 -19.260   4.334

  No H/Q in entry =           9
  In of MODEL   30
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   30
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.944   2.337
    4   HG12  ILE  12          HG12      ILE  12  10.799 -12.063   0.183
    5   HG13  ILE  12          HG13      ILE  12   9.348 -11.893   1.151
    6   HG21  ILE  12          HG21      ILE  12   9.736  -9.737   3.024
    7   HG23  ILE  12          HG22      ILE  12  10.804 -10.594   4.135
    8   HG22  ILE  12          HG23      ILE  12   9.462 -11.442   3.370
    9   HD11  ILE  12          HD11      ILE  12   9.523  -9.389   0.676
   10   HD13  ILE  12          HD12      ILE  12   9.115 -10.410  -0.692
   11   HD12  ILE  12          HD13      ILE  12  10.757  -9.812  -0.501

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.105 -11.633   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.805 -12.611   4.668
    5   HG13  ILE  13          HG13      ILE  13  15.282 -13.529   4.938
    6   HG23  ILE  13          HG21      ILE  13  17.386 -10.441   5.426
    7   HG22  ILE  13          HG22      ILE  13  17.043 -11.968   6.238
    8   HG21  ILE  13          HG23      ILE  13  16.119 -10.524   6.650
    9   HD11  ILE  13          HD11      ILE  13  14.294 -11.590   7.025
   10   HD13  ILE  13          HD12      ILE  13  15.350 -12.987   7.225
   11   HD12  ILE  13          HD13      ILE  13  13.628 -13.220   6.929

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   30
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   30
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   30
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   30
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   30
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   30
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   30
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   30
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   30
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   30
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   30
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   30
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   30
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   30
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   30
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   30
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.342  -1.676  -5.672
    4    HB3  HIS  52           HB3      HIS  52  17.782  -1.774  -6.686
    5    HD1  HIS  52           HD1      HIS  52  17.287  -2.134  -9.332
    6    HD2  HIS  52           HD2      HIS  52  14.072  -0.821  -7.026
    7    HE1  HIS  52           HE1      HIS  52  15.570  -1.219 -10.953
    8    HE2  HIS  52           HE2      HIS  52  13.604  -0.413  -9.562

  No H/Q in entry =           8
  In of MODEL   30
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   30
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   30
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   30
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.061
    4    HG1  THR  56           HG1      THR  56  15.956  -3.417 -11.454
    5   HG23  THR  56          HG21      THR  56  17.773  -4.162 -13.981
    6   HG22  THR  56          HG22      THR  56  16.194  -3.479 -13.594
    7   HG21  THR  56          HG23      THR  56  16.310  -5.105 -14.262

  No H/Q in entry =           7
  In of MODEL   30
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   30
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.831  -7.164 -12.524
    4   HG12  ILE  59          HG12      ILE  59   9.894  -7.059 -14.848
    5   HG13  ILE  59          HG13      ILE  59   9.519  -7.831 -13.315
    6   HG21  ILE  59          HG21      ILE  59  13.412  -6.442 -14.282
    7   HG23  ILE  59          HG22      ILE  59  12.095  -5.313 -14.097
    8   HG22  ILE  59          HG23      ILE  59  12.110  -6.422 -15.458
    9   HD11  ILE  59          HD11      ILE  59  10.239  -5.585 -12.239
   10   HD13  ILE  59          HD12      ILE  59   8.669  -5.655 -13.039
   11   HD12  ILE  59          HD13      ILE  59  10.045  -4.921 -13.860

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   30
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   30
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   30
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   30
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   30
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   30
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   30
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   30
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LEU  74           H        LEU  74   7.015 -13.182  -8.612
    2    HA   LEU  74           HA       LEU  74   8.951 -11.249  -8.156
    3    HB2  LEU  74           HB2      LEU  74   8.290 -11.970 -10.374
    4    HB3  LEU  74           HB3      LEU  74   6.666 -11.335 -10.136
    5    HG   LEU  74           HG       LEU  74   7.611  -9.050  -9.958
    6   HD13  LEU  74          HD11      LEU  74   9.807  -9.305  -9.178
    7   HD12  LEU  74          HD12      LEU  74  10.059  -8.926 -10.881
    8   HD11  LEU  74          HD13      LEU  74  10.171 -10.595 -10.322
    9   HD21  LEU  74          HD21      LEU  74   6.988 -10.368 -12.190
   10   HD23  LEU  74          HD22      LEU  74   8.708 -10.217 -12.499
   11   HD22  LEU  74          HD23      LEU  74   7.730  -8.772 -12.270

  No H/Q in entry =          11
  In of MODEL   30
    1    H    VAL  75           H        VAL  75   5.476 -11.039  -7.862
    2    HA   VAL  75           HA       VAL  75   5.354  -8.239  -7.346
    3    HB   VAL  75           HB       VAL  75   3.432 -10.456  -6.573
    4   HG12  VAL  75          HG11      VAL  75   1.860  -8.317  -6.735
    5   HG11  VAL  75          HG12      VAL  75   3.352  -7.474  -6.320
    6   HG13  VAL  75          HG13      VAL  75   2.709  -8.709  -5.240
    7   HG21  VAL  75          HG21      VAL  75   3.850 -10.230  -9.027
    8   HG23  VAL  75          HG22      VAL  75   3.393  -8.531  -8.928
    9   HG22  VAL  75          HG23      VAL  75   2.202  -9.783  -8.587

  No H/Q in entry =           9
  In of MODEL   30
    1    H    HIS  76           H        HIS  76   5.548 -11.170  -5.151
    2    HA   HIS  76           HA       HIS  76   5.282  -9.893  -2.683
    3    HB2  HIS  76           HB2      HIS  76   5.557 -12.429  -3.263
    4    HB3  HIS  76           HB3      HIS  76   7.277 -12.106  -3.034
    5    HD1  HIS  76           HD1      HIS  76   7.385 -10.260  -0.701
    6    HD2  HIS  76           HD2      HIS  76   4.678 -13.428  -0.835
    7    HE1  HIS  76           HE1      HIS  76   6.743 -10.756   1.698

  No H/Q in entry =           7
  In of MODEL   30
    1    H    ALA  77           H        ALA  77   8.195 -10.431  -4.648
    2    HA   ALA  77           HA       ALA  77   9.970  -9.145  -2.818
    3    HB1  ALA  77           HB1      ALA  77  11.092 -10.535  -4.299
    4    HB3  ALA  77           HB2      ALA  77  11.381  -8.956  -5.028
    5    HB2  ALA  77           HB3      ALA  77  10.133 -10.015  -5.685

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLN  78           H        GLN  78   8.169  -8.058  -5.678
    2    HA   GLN  78           HA       GLN  78   9.292  -5.458  -5.790
    3    HB2  GLN  78           HB2      GLN  78   7.917  -6.689  -7.575
    4    HB3  GLN  78           HB3      GLN  78   6.495  -6.187  -6.663
    5    HG2  GLN  78           HG2      GLN  78   7.210  -3.830  -6.864
    6    HG3  GLN  78           HG3      GLN  78   8.604  -4.341  -7.813
    7   HE21  GLN  78          HE21      GLN  78   6.703  -2.584  -8.968
    8   HE22  GLN  78          HE22      GLN  78   5.851  -3.415 -10.179

  No H/Q in entry =           8
  In of MODEL   30
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   30
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.164  -7.453  -0.516
    4    HB3  HIS  80           HB3      HIS  80  10.040  -6.565   0.732
    5    HD1  HIS  80           HD1      HIS  80   9.315  -6.893   3.113
    6    HD2  HIS  80           HD2      HIS  80   6.537  -8.416   0.404
    7    HE1  HIS  80           HE1      HIS  80   7.563  -8.115   4.489
    8    HE2  HIS  80           HE2      HIS  80   5.864  -9.048   2.846

  No H/Q in entry =           8
  In of MODEL   30
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   30
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   30
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   30
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   30
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   30
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   30
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   30
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   30
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   30
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.106  -6.382 -21.731
    4    HB3  GLU   5           HB3      GLU   5   0.418  -5.150 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.482  -4.493 -21.798
    6    HG3  GLU   5           HG3      GLU   5   2.167  -5.677 -20.531

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   30
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   30
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   30
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.438 -21.000
    4    HB3  MET   9           HB3      MET   9   4.428   1.167 -20.551
    5    HG2  MET   9           HG2      MET   9   5.218  -0.959 -19.655
    6    HG3  MET   9           HG3      MET   9   3.650  -1.705 -19.967
    7    HE1  MET   9           HE1      MET   9   6.589   0.105 -21.170
    8    HE3  MET   9           HE2      MET   9   5.724   0.820 -22.528
    9    HE2  MET   9           HE3      MET   9   6.929  -0.431 -22.820

  No H/Q in entry =           9
  In of MODEL   30
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   30
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.497   1.700 -15.884
    4   HG12  ILE  12          HG12      ILE  12   2.928   0.072 -15.294
    5   HG13  ILE  12          HG13      ILE  12   4.375  -0.530 -14.514
    6   HG21  ILE  12          HG21      ILE  12   5.601   1.652 -13.068
    7   HG23  ILE  12          HG22      ILE  12   6.287   2.479 -14.467
    8   HG22  ILE  12          HG23      ILE  12   6.264   0.717 -14.408
    9   HD11  ILE  12          HD11      ILE  12   3.538   0.677 -12.420
   10   HD13  ILE  12          HD12      ILE  12   2.626  -0.734 -12.926
   11   HD12  ILE  12          HD13      ILE  12   2.022   0.879 -13.283

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.813 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.839   3.933 -17.779
    5   HG13  ILE  13          HG13      ILE  13   5.610   4.691 -19.352
    6   HG23  ILE  13          HG21      ILE  13   4.753   8.047 -17.863
    7   HG22  ILE  13          HG22      ILE  13   5.836   7.353 -19.070
    8   HG21  ILE  13          HG23      ILE  13   6.388   7.565 -17.409
    9   HD11  ILE  13          HD11      ILE  13   7.621   5.805 -17.402
   10   HD13  ILE  13          HD12      ILE  13   7.566   5.979 -19.155
   11   HD12  ILE  13          HD13      ILE  13   8.036   4.440 -18.437

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   30
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   30
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   30
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   30
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   30
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   30
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   30
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   30
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   30
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   30
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   30
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   30
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   30
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   30
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   30
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   30
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.062  -8.766
    4    HB3  HIS  52           HB3      HIS  52  -7.556   7.677  -9.495
    5    HD1  HIS  52           HD1      HIS  52  -9.690   6.002  -9.296
    6    HD2  HIS  52           HD2      HIS  52  -6.507   5.245  -6.713
    7    HE1  HIS  52           HE1      HIS  52 -10.592   4.500  -7.475
    8    HE2  HIS  52           HE2      HIS  52  -8.666   4.032  -5.884

  No H/Q in entry =           8
  In of MODEL   30
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   30
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   30
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   30
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.898   3.589 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.906   3.456  -9.451
    5   HG23  THR  56          HG21      THR  56 -13.820   3.361 -10.850
    6   HG22  THR  56          HG22      THR  56 -12.942   2.778  -9.436
    7   HG21  THR  56          HG23      THR  56 -13.302   1.678 -10.765

  No H/Q in entry =           7
  In of MODEL   30
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   30
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.651  -1.986 -10.400
    4   HG12  ILE  59          HG12      ILE  59 -10.968  -4.336  -9.032
    5   HG13  ILE  59          HG13      ILE  59  -9.350  -4.423  -9.709
    6   HG23  ILE  59          HG21      ILE  59 -11.843  -1.042 -10.286
    7   HG22  ILE  59          HG22      ILE  59 -11.523  -1.722  -8.712
    8   HG21  ILE  59          HG23      ILE  59 -12.572  -2.572  -9.834
    9   HD11  ILE  59          HD11      ILE  59  -8.962  -2.220  -8.320
   10   HD13  ILE  59          HD12      ILE  59  -8.873  -3.791  -7.526
   11   HD12  ILE  59          HD13      ILE  59 -10.334  -2.814  -7.384

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   30
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   30
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   30
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   30
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   30
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   30
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   30
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   30
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LEU  74           H        LEU  74  -3.310  -7.011 -13.429
    2    HA   LEU  74           HA       LEU  74  -3.951  -4.382 -12.838
    3    HB2  LEU  74           HB2      LEU  74  -5.591  -6.170 -12.881
    4    HB3  LEU  74           HB3      LEU  74  -4.805  -6.978 -11.531
    5    HG   LEU  74           HG       LEU  74  -5.342  -5.033 -10.087
    6   HD13  LEU  74          HD11      LEU  74  -5.502  -3.183 -11.519
    7   HD12  LEU  74          HD12      LEU  74  -7.192  -3.512 -11.141
    8   HD11  LEU  74          HD13      LEU  74  -6.513  -4.042 -12.680
    9   HD21  LEU  74          HD21      LEU  74  -6.919  -7.106 -10.655
   10   HD23  LEU  74          HD22      LEU  74  -7.924  -5.864 -11.382
   11   HD22  LEU  74          HD23      LEU  74  -7.518  -5.771  -9.673

  No H/Q in entry =          11
  In of MODEL   30
    1    H    VAL  75           H        VAL  75  -2.315  -6.766 -10.882
    2    HA   VAL  75           HA       VAL  75  -2.190  -5.221  -8.490
    3    HB   VAL  75           HB       VAL  75  -0.398  -7.475  -9.432
    4   HG12  VAL  75          HG11      VAL  75  -0.235  -7.626  -6.784
    5   HG11  VAL  75          HG12      VAL  75  -0.598  -5.904  -6.889
    6   HG13  VAL  75          HG13      VAL  75   0.829  -6.555  -7.695
    7   HG21  VAL  75          HG21      VAL  75  -2.828  -8.060  -9.232
    8   HG23  VAL  75          HG22      VAL  75  -2.797  -7.500  -7.560
    9   HG22  VAL  75          HG23      VAL  75  -1.832  -8.894  -8.040

  No H/Q in entry =           9
  In of MODEL   30
    1    H    HIS  76           H        HIS  76   0.128  -5.657 -11.292
    2    HA   HIS  76           HA       HIS  76   2.280  -4.176 -10.306
    3    HB2  HIS  76           HB2      HIS  76   1.997  -5.500 -12.552
    4    HB3  HIS  76           HB3      HIS  76   1.493  -3.934 -13.187
    5    HD1  HIS  76           HD1      HIS  76   3.310  -2.288 -13.729
    6    HD2  HIS  76           HD2      HIS  76   4.695  -5.398 -11.325
    7    HE1  HIS  76           HE1      HIS  76   5.820  -1.995 -13.556

  No H/Q in entry =           7
  In of MODEL   30
    1    H    ALA  77           H        ALA  77  -0.596  -3.079 -12.079
    2    HA   ALA  77           HA       ALA  77   0.157  -0.323 -12.086
    3    HB1  ALA  77           HB1      ALA  77  -1.439  -0.809 -13.704
    4    HB3  ALA  77           HB2      ALA  77  -2.440  -0.094 -12.441
    5    HB2  ALA  77           HB3      ALA  77  -2.375  -1.846 -12.625

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLN  78           H        GLN  78  -1.842  -2.329  -9.949
    2    HA   GLN  78           HA       GLN  78  -2.773  -0.210  -8.312
    3    HB2  GLN  78           HB2      GLN  78  -3.657  -2.612  -8.470
    4    HB3  GLN  78           HB3      GLN  78  -2.328  -3.053  -7.397
    5    HG2  GLN  78           HG2      GLN  78  -3.127  -1.393  -5.748
    6    HG3  GLN  78           HG3      GLN  78  -4.480  -1.005  -6.808
    7   HE21  GLN  78          HE21      GLN  78  -4.995  -2.021  -4.212
    8   HE22  GLN  78          HE22      GLN  78  -5.623  -3.592  -4.351

  No H/Q in entry =           8
  In of MODEL   30
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   30
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.318   0.887 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.963   2.519 -10.293
    5    HD1  HIS  80           HD1      HIS  80   5.451   2.805 -10.439
    6    HD2  HIS  80           HD2      HIS  80   4.356  -1.195 -10.023
    7    HE1  HIS  80           HE1      HIS  80   7.579   1.445 -10.710
    8    HE2  HIS  80           HE2      HIS  80   6.923  -0.998 -10.460

  No H/Q in entry =           8
  In of MODEL   30
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   30
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   30
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   30
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   30
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   30
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   30
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   30
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   30
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   30
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   30
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   30
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   30
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   30
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   30
    1    H    PHE   9           H        PHE   9 -21.287   0.633  -3.916
    2    HA   PHE   9           HA       PHE   9 -18.525   1.521  -4.543
    3    HB2  PHE   9           HB2      PHE   9 -20.342   2.427  -2.302
    4    HB3  PHE   9           HB3      PHE   9 -18.633   2.840  -2.432
    5    HD1  PHE   9           HD1      PHE   9 -21.990   3.458  -3.708
    6    HD2  PHE   9           HD2      PHE   9 -17.811   4.212  -4.345
    7    HE1  PHE   9           HE1      PHE   9 -22.561   5.315  -5.247
    8    HE2  PHE   9           HE2      PHE   9 -18.382   6.069  -5.887
    9    HZ   PHE   9           HZ       PHE   9 -20.757   6.621  -6.338

  No H/Q in entry =           9
  In of MODEL   30
    1    H    CYS  10           H        CYS  10 -16.922   0.876  -3.258
    2    HA   CYS  10           HA       CYS  10 -17.234  -0.887  -0.973
    3    HB2  CYS  10           HB2      CYS  10 -16.044  -2.741  -1.808
    4    HB3  CYS  10           HB3      CYS  10 -17.107  -2.310  -3.151

  No H/Q in entry =           4
  In of MODEL   30
    1    H    SER  11           H        SER  11 -14.253  -1.566  -0.779
    2    HA   SER  11           HA       SER  11 -13.536   1.155  -0.090
    3    HB2  SER  11           HB2      SER  11 -11.216  -0.185   0.229
    4    HB3  SER  11           HB3      SER  11 -12.481  -0.172   1.440
    5    HG   SER  11           HG       SER  11 -12.782  -2.213   1.079

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA  12           H        ALA  12 -12.103  -1.297  -2.346
    2    HA   ALA  12           HA       ALA  12 -10.693   0.938  -3.644
    3    HB1  ALA  12           HB1      ALA  12  -9.974  -1.777  -2.971
    4    HB3  ALA  12           HB2      ALA  12  -8.945  -0.466  -3.547
    5    HB2  ALA  12           HB3      ALA  12  -9.780  -1.503  -4.703

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLY  13           H        GLY  13 -12.814  -1.813  -4.256
    2    HA3  GLY  13           HA2      GLY  13 -14.603  -1.457  -5.895
    3    HA2  GLY  13           HA3      GLY  13 -13.396  -0.703  -6.929

  No H/Q in entry =           3
  In of MODEL   30
    1    H    MET  14           H        MET  14 -12.628  -3.688  -5.142
    2    HA   MET  14           HA       MET  14 -12.461  -4.989  -7.783
    3    HB2  MET  14           HB2      MET  14 -10.397  -4.771  -6.329
    4    HB3  MET  14           HB3      MET  14 -11.150  -5.935  -5.237
    5    HG2  MET  14           HG2      MET  14 -11.325  -7.562  -7.079
    6    HG3  MET  14           HG3      MET  14 -10.594  -6.400  -8.184
    7    HE3  MET  14           HE1      MET  14  -9.281  -9.371  -7.781
    8    HE2  MET  14           HE2      MET  14  -7.655  -8.737  -8.010
    9    HE1  MET  14           HE3      MET  14  -8.998  -8.043  -8.912

  No H/Q in entry =           9
  In of MODEL   30
    1    H    SER  15           H        SER  15 -12.824  -6.340  -4.538
    2    HA   SER  15           HA       SER  15 -14.094  -8.657  -5.197
    3    HB2  SER  15           HB2      SER  15 -15.127  -7.156  -2.824
    4    HB3  SER  15           HB3      SER  15 -14.760  -8.873  -2.992
    5    HG   SER  15           HG       SER  15 -12.562  -8.325  -3.093

  No H/Q in entry =           5
  In of MODEL   30
    1    H    THR  16           H        THR  16 -15.512  -5.452  -5.460
    2    HA   THR  16           HA       THR  16 -18.192  -6.671  -5.630
    3    HB   THR  16           HB       THR  16 -17.442  -3.754  -5.945
    4    HG1  THR  16           HG1      THR  16 -16.917  -4.137  -3.903
    5   HG23  THR  16          HG21      THR  16 -19.608  -4.048  -6.802
    6   HG22  THR  16          HG22      THR  16 -19.905  -3.609  -5.119
    7   HG21  THR  16          HG23      THR  16 -20.008  -5.297  -5.621

  No H/Q in entry =           7
  In of MODEL   30
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   30
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   30
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   30
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   30
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   30
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   30
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   30
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   30
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   30
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   30
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   30
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   30
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   30
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   30
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   30
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   30
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   30
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   30
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   30
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   30
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   30
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.010

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   30
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   30
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   30
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   30
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   30
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   30
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   30
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   30
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   30
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   30
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   30
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   30
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   30
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   30
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   30
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   30
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   30
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   30
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   30
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   30
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   30
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   30
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   30
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   30
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   30
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   30
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   30
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   30
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   30
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   30
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   31
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.287 -14.282  -2.730
    4    HB3  GLU   5           HB3      GLU   5 -14.695 -13.928  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.578 -11.560  -2.353
    6    HG3  GLU   5           HG3      GLU   5 -13.135 -11.872  -3.319

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   31
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   31
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   31
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.708  -8.430   1.545
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.708   1.341
    5    HG2  MET   9           HG2      MET   9 -14.296  -6.791  -0.971
    6    HG3  MET   9           HG3      MET   9 -13.792  -8.470  -0.790
    7    HE2  MET   9           HE1      MET   9 -17.882  -6.608  -1.131
    8    HE1  MET   9           HE2      MET   9 -16.353  -5.898  -0.624
    9    HE3  MET   9           HE3      MET   9 -17.351  -6.747   0.547

  No H/Q in entry =           9
  In of MODEL   31
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   31
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.945  -4.378   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.248  -6.174   0.976
    5   HG13  ILE  12          HG13      ILE  12  -9.709  -5.434  -0.544
    6   HG21  ILE  12          HG21      ILE  12 -10.223  -2.039   0.921
    7   HG23  ILE  12          HG22      ILE  12 -10.274  -2.959  -0.584
    8   HG22  ILE  12          HG23      ILE  12  -8.730  -2.640   0.215
    9   HD11  ILE  12          HD11      ILE  12  -7.624  -3.982  -0.289
   10   HD13  ILE  12          HD12      ILE  12  -7.341  -5.688  -0.586
   11   HD12  ILE  12          HD13      ILE  12  -7.182  -5.040   1.041

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.235
    4   HG12  ILE  13          HG12      ILE  13 -13.492  -3.067   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.920  -3.528   3.577
    6   HG22  ILE  13          HG21      ILE  13 -15.158  -1.870   5.692
    7   HG21  ILE  13          HG22      ILE  13 -13.898  -0.661   5.442
    8   HG23  ILE  13          HG23      ILE  13 -13.737  -1.848   6.737
    9   HD13  ILE  13          HD11      ILE  13 -15.798  -1.373   3.555
   10   HD12  ILE  13          HD12      ILE  13 -14.949  -1.387   2.014
   11   HD11  ILE  13          HD13      ILE  13 -14.209  -0.623   3.419

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   31
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   31
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   31
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   31
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   31
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   31
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   31
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   31
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   31
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   31
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   31
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   31
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   31
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   31
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   31
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   31
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   31
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.950  -6.667  10.572
    4    HB3  HIS  52           HB3      HIS  52  -1.106  -7.757  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.196 -10.117  11.692
    6    HD2  HIS  52           HD2      HIS  52   1.317  -7.119   9.022
    7    HE1  HIS  52           HE1      HIS  52   2.423 -10.825  10.714
    8    HE2  HIS  52           HE2      HIS  52   3.121  -9.006   9.085

  No H/Q in entry =           8
  In of MODEL   31
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   31
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   31
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   31
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.094 -14.224  10.983
    4    HG1  THR  56           HG1      THR  56  -0.084 -12.398  11.504
    5   HG23  THR  56          HG21      THR  56   0.898 -15.186  11.662
    6   HG22  THR  56          HG22      THR  56   1.851 -14.260  10.504
    7   HG21  THR  56          HG23      THR  56   0.947 -15.676   9.969

  No H/Q in entry =           7
  In of MODEL   31
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   31
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.915
    4   HG12  ILE  59          HG12      ILE  59   2.395 -16.240   3.447
    5   HG13  ILE  59          HG13      ILE  59   1.134 -15.347   2.611
    6   HG21  ILE  59          HG21      ILE  59   1.122 -16.026   6.797
    7   HG23  ILE  59          HG22      ILE  59   2.389 -15.065   6.083
    8   HG22  ILE  59          HG23      ILE  59   2.288 -16.781   5.727
    9   HD11  ILE  59          HD11      ILE  59   1.871 -13.305   3.964
   10   HD13  ILE  59          HD12      ILE  59   2.985 -13.856   2.713
   11   HD12  ILE  59          HD13      ILE  59   3.296 -14.246   4.404

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   31
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   31
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   31
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   31
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   31
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   31
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   31
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   31
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LEU  74           H        LEU  74  -4.195 -13.632  -2.390
    2    HA   LEU  74           HA       LEU  74  -3.780 -12.464   0.111
    3    HB2  LEU  74           HB2      LEU  74  -2.850 -14.613  -0.571
    4    HB3  LEU  74           HB3      LEU  74  -1.850 -13.822  -1.784
    5    HG   LEU  74           HG       LEU  74  -0.688 -12.584   0.034
    6   HD12  LEU  74          HD11      LEU  74  -1.065 -13.670   2.367
    7   HD11  LEU  74          HD12      LEU  74  -2.606 -14.208   1.703
    8   HD13  LEU  74          HD13      LEU  74  -2.245 -12.485   1.809
    9   HD22  LEU  74          HD21      LEU  74   0.742 -14.400   0.563
   10   HD21  LEU  74          HD22      LEU  74  -0.060 -14.948  -0.899
   11   HD23  LEU  74          HD23      LEU  74  -0.602 -15.534   0.669

  No H/Q in entry =          11
  In of MODEL   31
    1    H    VAL  75           H        VAL  75  -2.671 -11.559  -3.045
    2    HA   VAL  75           HA       VAL  75  -0.716  -9.642  -2.232
    3    HB   VAL  75           HB       VAL  75  -2.244 -10.025  -4.821
    4   HG12  VAL  75          HG11      VAL  75  -0.545  -8.476  -5.799
    5   HG11  VAL  75          HG12      VAL  75   0.020  -8.116  -4.169
    6   HG13  VAL  75          HG13      VAL  75  -1.618  -7.679  -4.650
    7   HG23  VAL  75          HG21      VAL  75   0.008 -10.828  -5.605
    8   HG22  VAL  75          HG22      VAL  75  -0.670 -11.828  -4.321
    9   HG21  VAL  75          HG23      VAL  75   0.597 -10.661  -3.951

  No H/Q in entry =           9
  In of MODEL   31
    1    H    HIS  76           H        HIS  76  -4.403  -9.266  -3.380
    2    HA   HIS  76           HA       HIS  76  -4.746  -6.500  -3.190
    3    HB2  HIS  76           HB2      HIS  76  -6.481  -8.090  -4.067
    4    HB3  HIS  76           HB3      HIS  76  -6.825  -8.572  -2.411
    5    HD1  HIS  76           HD1      HIS  76  -6.083  -4.955  -2.777
    6    HD2  HIS  76           HD2      HIS  76  -9.504  -7.360  -2.928
    7    HE1  HIS  76           HE1      HIS  76  -8.082  -3.388  -2.608

  No H/Q in entry =           7
  In of MODEL   31
    1    H    ALA  77           H        ALA  77  -4.708  -8.956  -0.680
    2    HA   ALA  77           HA       ALA  77  -5.532  -7.125   1.410
    3    HB3  ALA  77           HB1      ALA  77  -4.608  -9.990   1.355
    4    HB2  ALA  77           HB2      ALA  77  -6.176  -9.342   1.834
    5    HB1  ALA  77           HB3      ALA  77  -4.776  -9.122   2.883

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLN  78           H        GLN  78  -2.456  -8.805   0.550
    2    HA   GLN  78           HA       GLN  78  -0.953  -7.684   2.642
    3    HB2  GLN  78           HB2      GLN  78  -0.330  -9.637   1.124
    4    HB3  GLN  78           HB3      GLN  78   0.146  -8.432  -0.072
    5    HG2  GLN  78           HG2      GLN  78   1.710  -7.442   1.560
    6    HG3  GLN  78           HG3      GLN  78   1.252  -8.667   2.740
    7   HE21  GLN  78          HE21      GLN  78   3.953  -8.504   1.907
    8   HE22  GLN  78          HE22      GLN  78   4.322  -9.861   0.957

  No H/Q in entry =           8
  In of MODEL   31
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   31
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.182
    4    HB3  HIS  80           HB3      HIS  80  -5.391  -2.797   2.199
    5    HD1  HIS  80           HD1      HIS  80  -6.796  -1.028   1.166
    6    HD2  HIS  80           HD2      HIS  80  -4.954  -3.401  -1.725
    7    HE1  HIS  80           HE1      HIS  80  -7.650  -0.213  -1.083
    8    HE2  HIS  80           HE2      HIS  80  -6.534  -1.655  -2.854

  No H/Q in entry =           8
  In of MODEL   31
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   31
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   31
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   31
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   31
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   31
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   31
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   31
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   31
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   31
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   31
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.423 -20.432  -4.408
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.475
    5    HG2  GLU   5           HG2      GLU   5  10.900 -19.851  -1.469
    6    HG3  GLU   5           HG3      GLU   5   9.489 -19.328  -2.387

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   31
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   31
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   31
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.034 -16.708   0.855
    4    HB3  MET   9           HB3      MET   9  13.733 -16.162   2.505
    5    HG2  MET   9           HG2      MET   9  11.351 -16.602   2.268
    6    HG3  MET   9           HG3      MET   9  11.566 -17.019   0.567
    7    HE2  MET   9           HE1      MET   9  12.665 -19.284   4.327
    8    HE1  MET   9           HE2      MET   9  12.353 -17.566   4.094
    9    HE3  MET   9           HE3      MET   9  13.953 -18.220   3.751

  No H/Q in entry =           9
  In of MODEL   31
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   31
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.312
    4   HG12  ILE  12          HG12      ILE  12  10.852 -11.558  -0.015
    5   HG13  ILE  12          HG13      ILE  12   9.642 -12.260   1.041
    6   HG23  ILE  12          HG21      ILE  12  10.859 -10.575   4.134
    7   HG22  ILE  12          HG22      ILE  12   9.513 -11.474   3.432
    8   HG21  ILE  12          HG23      ILE  12   9.729  -9.766   3.051
    9   HD11  ILE  12          HD11      ILE  12   8.799  -9.871   1.384
   10   HD13  ILE  12          HD12      ILE  12   8.547 -10.563  -0.208
   11   HD12  ILE  12          HD13      ILE  12   9.862  -9.427   0.057

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.812 -12.620   4.660
    5   HG13  ILE  13          HG13      ILE  13  15.289 -13.528   4.958
    6   HG22  ILE  13          HG21      ILE  13  17.039 -11.967   6.241
    7   HG21  ILE  13          HG22      ILE  13  16.126 -10.513   6.643
    8   HG23  ILE  13          HG23      ILE  13  17.393 -10.448   5.418
    9   HD13  ILE  13          HD11      ILE  13  15.256 -13.097   7.235
   10   HD12  ILE  13          HD12      ILE  13  13.525 -13.072   6.906
   11   HD11  ILE  13          HD13      ILE  13  14.420 -11.558   7.033

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   31
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   31
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   31
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   31
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   31
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   31
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   31
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   31
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   31
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   31
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   31
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   31
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   31
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   31
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   31
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   31
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   31
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.323  -1.676  -5.681
    4    HB3  HIS  52           HB3      HIS  52  17.784  -1.773  -6.664
    5    HD1  HIS  52           HD1      HIS  52  17.359  -2.103  -9.318
    6    HD2  HIS  52           HD2      HIS  52  14.066  -0.856  -7.086
    7    HE1  HIS  52           HE1      HIS  52  15.672  -1.199 -10.975
    8    HE2  HIS  52           HE2      HIS  52  13.659  -0.433  -9.630

  No H/Q in entry =           8
  In of MODEL   31
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   31
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   31
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   31
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.457 -12.069
    4    HG1  THR  56           HG1      THR  56  17.626  -3.556 -11.087
    5   HG23  THR  56          HG21      THR  56  17.765  -4.166 -13.987
    6   HG22  THR  56          HG22      THR  56  16.201  -3.462 -13.579
    7   HG21  THR  56          HG23      THR  56  16.286  -5.086 -14.256

  No H/Q in entry =           7
  In of MODEL   31
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   31
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.840  -7.161 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.891  -7.014 -14.833
    5   HG13  ILE  59          HG13      ILE  59   9.524  -7.862 -13.339
    6   HG21  ILE  59          HG21      ILE  59  13.403  -6.458 -14.322
    7   HG23  ILE  59          HG22      ILE  59  12.108  -5.313 -14.087
    8   HG22  ILE  59          HG23      ILE  59  12.069  -6.406 -15.461
    9   HD11  ILE  59          HD11      ILE  59  10.151  -5.703 -12.120
   10   HD13  ILE  59          HD12      ILE  59   8.647  -5.671 -13.040
   11   HD12  ILE  59          HD13      ILE  59  10.101  -4.924 -13.701

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   31
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   31
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   31
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   31
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   31
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   31
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   31
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   31
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LEU  74           H        LEU  74   6.934 -13.100  -8.615
    2    HA   LEU  74           HA       LEU  74   8.857 -11.139  -8.095
    3    HB2  LEU  74           HB2      LEU  74   8.185 -11.828 -10.336
    4    HB3  LEU  74           HB3      LEU  74   6.564 -11.196 -10.071
    5    HG   LEU  74           HG       LEU  74   7.537  -8.920  -9.806
    6   HD12  LEU  74          HD11      LEU  74   9.951  -8.758 -10.759
    7   HD11  LEU  74          HD12      LEU  74  10.069 -10.468 -10.348
    8   HD13  LEU  74          HD13      LEU  74   9.759  -9.277  -9.086
    9   HD22  LEU  74          HD21      LEU  74   7.692  -8.551 -12.143
   10   HD21  LEU  74          HD22      LEU  74   6.790 -10.053 -12.044
   11   HD23  LEU  74          HD23      LEU  74   8.510 -10.088 -12.413

  No H/Q in entry =          11
  In of MODEL   31
    1    H    VAL  75           H        VAL  75   5.393 -11.105  -7.744
    2    HA   VAL  75           HA       VAL  75   5.063  -8.343  -7.169
    3    HB   VAL  75           HB       VAL  75   3.406 -10.780  -6.476
    4   HG12  VAL  75          HG11      VAL  75   1.618  -9.168  -5.858
    5   HG11  VAL  75          HG12      VAL  75   2.773  -7.846  -6.026
    6   HG13  VAL  75          HG13      VAL  75   3.007  -9.066  -4.775
    7   HG23  VAL  75          HG21      VAL  75   1.886  -9.767  -8.208
    8   HG22  VAL  75          HG22      VAL  75   3.457 -10.233  -8.859
    9   HG21  VAL  75          HG23      VAL  75   3.117  -8.540  -8.509

  No H/Q in entry =           9
  In of MODEL   31
    1    H    HIS  76           H        HIS  76   5.539 -11.260  -4.986
    2    HA   HIS  76           HA       HIS  76   5.335  -9.945  -2.519
    3    HB2  HIS  76           HB2      HIS  76   5.589 -12.482  -3.043
    4    HB3  HIS  76           HB3      HIS  76   7.321 -12.158  -2.947
    5    HD1  HIS  76           HD1      HIS  76   7.999 -12.970  -0.677
    6    HD2  HIS  76           HD2      HIS  76   4.483 -10.734  -0.529
    7    HE1  HIS  76           HE1      HIS  76   7.413 -12.717   1.774

  No H/Q in entry =           7
  In of MODEL   31
    1    H    ALA  77           H        ALA  77   8.155 -10.458  -4.616
    2    HA   ALA  77           HA       ALA  77  10.003  -9.181  -2.857
    3    HB2  ALA  77           HB1      ALA  77  10.055  -9.972  -5.757
    4    HB1  ALA  77           HB2      ALA  77  11.007 -10.607  -4.416
    5    HB3  ALA  77           HB3      ALA  77  11.366  -9.010  -5.071

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLN  78           H        GLN  78   8.155  -8.057  -5.698
    2    HA   GLN  78           HA       GLN  78   9.310  -5.472  -5.763
    3    HB2  GLN  78           HB2      GLN  78   7.956  -6.652  -7.587
    4    HB3  GLN  78           HB3      GLN  78   6.520  -6.169  -6.686
    5    HG2  GLN  78           HG2      GLN  78   7.219  -3.811  -6.836
    6    HG3  GLN  78           HG3      GLN  78   8.645  -4.292  -7.753
    7   HE21  GLN  78          HE21      GLN  78   6.774  -2.527  -8.936
    8   HE22  GLN  78          HE22      GLN  78   5.960  -3.341 -10.184

  No H/Q in entry =           8
  In of MODEL   31
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   31
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.176  -7.448  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.035  -6.563   0.743
    5    HD1  HIS  80           HD1      HIS  80   9.426  -7.146   3.079
    6    HD2  HIS  80           HD2      HIS  80   6.403  -8.188   0.404
    7    HE1  HIS  80           HE1      HIS  80   7.632  -8.320   4.442
    8    HE2  HIS  80           HE2      HIS  80   5.783  -8.960   2.820

  No H/Q in entry =           8
  In of MODEL   31
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   31
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   31
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   31
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   31
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   31
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   31
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   31
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   31
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   31
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   31
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.104  -6.381 -21.734
    4    HB3  GLU   5           HB3      GLU   5   0.422  -5.148 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.484  -4.499 -21.794
    6    HG3  GLU   5           HG3      GLU   5   2.162  -5.679 -20.526

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   31
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   31
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   31
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.435 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.224  -0.954 -19.658
    6    HG3  MET   9           HG3      MET   9   3.657  -1.704 -19.961
    7    HE2  MET   9           HE1      MET   9   6.927  -0.440 -22.826
    8    HE1  MET   9           HE2      MET   9   6.595   0.098 -21.182
    9    HE3  MET   9           HE3      MET   9   5.719   0.818 -22.530

  No H/Q in entry =           9
  In of MODEL   31
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   31
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.476   1.687 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.664   0.281 -14.884
    5   HG13  ILE  12          HG13      ILE  12   4.209  -0.541 -14.958
    6   HG23  ILE  12          HG21      ILE  12   6.263   2.527 -14.478
    7   HG22  ILE  12          HG22      ILE  12   6.301   0.764 -14.468
    8   HG21  ILE  12          HG23      ILE  12   5.633   1.639 -13.092
    9   HD11  ILE  12          HD11      ILE  12   4.523   0.175 -12.530
   10   HD13  ILE  12          HD12      ILE  12   3.277  -1.026 -12.826
   11   HD12  ILE  12          HD13      ILE  12   2.834   0.656 -12.566

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.813 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.829   3.929 -17.789
    5   HG13  ILE  13          HG13      ILE  13   5.621   4.704 -19.357
    6   HG22  ILE  13          HG21      ILE  13   5.852   7.350 -19.065
    7   HG21  ILE  13          HG22      ILE  13   6.374   7.573 -17.396
    8   HG23  ILE  13          HG23      ILE  13   4.746   8.044 -17.880
    9   HD13  ILE  13          HD11      ILE  13   7.628   5.853 -19.205
   10   HD12  ILE  13          HD12      ILE  13   8.034   4.423 -18.258
   11   HD11  ILE  13          HD13      ILE  13   7.574   5.918 -17.444

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   31
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   31
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   31
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   31
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   31
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   31
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   31
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   31
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   31
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   31
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   31
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   31
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   31
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   31
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   31
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   31
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   31
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.045  -8.756
    4    HB3  HIS  52           HB3      HIS  52  -7.539   7.687  -9.497
    5    HD1  HIS  52           HD1      HIS  52  -9.713   6.087  -9.299
    6    HD2  HIS  52           HD2      HIS  52  -6.548   5.188  -6.742
    7    HE1  HIS  52           HE1      HIS  52 -10.656   4.583  -7.500
    8    HE2  HIS  52           HE2      HIS  52  -8.740   4.028  -5.925

  No H/Q in entry =           8
  In of MODEL   31
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   31
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   31
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   31
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.904   3.586 -12.099
    4    HG1  THR  56           HG1      THR  56 -11.220   4.799 -10.461
    5   HG23  THR  56          HG21      THR  56 -13.822   3.350 -10.849
    6   HG22  THR  56          HG22      THR  56 -12.936   2.796  -9.429
    7   HG21  THR  56          HG23      THR  56 -13.291   1.673 -10.739

  No H/Q in entry =           7
  In of MODEL   31
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   31
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.670  -1.965 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.922  -4.311  -8.983
    5   HG13  ILE  59          HG13      ILE  59  -9.349  -4.436  -9.754
    6   HG23  ILE  59          HG21      ILE  59 -11.942  -1.130 -10.322
    7   HG22  ILE  59          HG22      ILE  59 -11.492  -1.667  -8.726
    8   HG21  ILE  59          HG23      ILE  59 -12.545  -2.662  -9.717
    9   HD11  ILE  59          HD11      ILE  59  -8.759  -2.285  -8.428
   10   HD13  ILE  59          HD12      ILE  59  -8.808  -3.815  -7.554
   11   HD12  ILE  59          HD13      ILE  59 -10.164  -2.694  -7.444

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   31
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   31
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   31
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   31
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   31
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   31
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   31
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   31
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LEU  74           H        LEU  74  -3.289  -7.041 -13.307
    2    HA   LEU  74           HA       LEU  74  -3.875  -4.380 -12.697
    3    HB2  LEU  74           HB2      LEU  74  -5.532  -6.173 -12.702
    4    HB3  LEU  74           HB3      LEU  74  -4.721  -6.963 -11.356
    5    HG   LEU  74           HG       LEU  74  -5.195  -4.964  -9.948
    6   HD12  LEU  74          HD11      LEU  74  -7.066  -3.469 -10.960
    7   HD11  LEU  74          HD12      LEU  74  -6.502  -4.073 -12.517
    8   HD13  LEU  74          HD13      LEU  74  -5.406  -3.172 -11.470
    9   HD22  LEU  74          HD21      LEU  74  -7.421  -5.637  -9.477
   10   HD21  LEU  74          HD22      LEU  74  -6.752  -7.040 -10.291
   11   HD23  LEU  74          HD23      LEU  74  -7.782  -5.923 -11.178

  No H/Q in entry =          11
  In of MODEL   31
    1    H    VAL  75           H        VAL  75  -2.163  -6.819 -10.906
    2    HA   VAL  75           HA       VAL  75  -1.888  -5.431  -8.445
    3    HB   VAL  75           HB       VAL  75  -0.251  -7.631  -9.717
    4   HG12  VAL  75          HG11      VAL  75   0.806  -7.886  -7.482
    5   HG11  VAL  75          HG12      VAL  75  -0.010  -6.418  -6.944
    6   HG13  VAL  75          HG13      VAL  75   1.200  -6.335  -8.224
    7   HG23  VAL  75          HG21      VAL  75  -1.348  -8.972  -7.888
    8   HG22  VAL  75          HG22      VAL  75  -2.505  -8.302  -9.039
    9   HG21  VAL  75          HG23      VAL  75  -2.287  -7.542  -7.465

  No H/Q in entry =           9
  In of MODEL   31
    1    H    HIS  76           H        HIS  76   0.289  -5.636 -11.390
    2    HA   HIS  76           HA       HIS  76   2.415  -4.095 -10.408
    3    HB2  HIS  76           HB2      HIS  76   2.197  -5.403 -12.647
    4    HB3  HIS  76           HB3      HIS  76   1.531  -3.894 -13.272
    5    HD1  HIS  76           HD1      HIS  76   3.421  -2.855 -14.549
    6    HD2  HIS  76           HD2      HIS  76   4.664  -4.283 -10.836
    7    HE1  HIS  76           HE1      HIS  76   5.834  -2.138 -14.278

  No H/Q in entry =           7
  In of MODEL   31
    1    H    ALA  77           H        ALA  77  -0.550  -3.101 -12.093
    2    HA   ALA  77           HA       ALA  77   0.105  -0.326 -12.129
    3    HB3  ALA  77           HB1      ALA  77  -2.421  -1.907 -12.540
    4    HB1  ALA  77           HB2      ALA  77  -1.509  -0.951 -13.708
    5    HB2  ALA  77           HB3      ALA  77  -2.474  -0.145 -12.472

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLN  78           H        GLN  78  -1.858  -2.346  -9.940
    2    HA   GLN  78           HA       GLN  78  -2.762  -0.200  -8.324
    3    HB2  GLN  78           HB2      GLN  78  -3.676  -2.590  -8.454
    4    HB3  GLN  78           HB3      GLN  78  -2.348  -3.040  -7.384
    5    HG2  GLN  78           HG2      GLN  78  -3.117  -1.371  -5.738
    6    HG3  GLN  78           HG3      GLN  78  -4.460  -0.950  -6.798
    7   HE21  GLN  78          HE21      GLN  78  -4.993  -1.956  -4.199
    8   HE22  GLN  78          HE22      GLN  78  -5.662  -3.509  -4.339

  No H/Q in entry =           8
  In of MODEL   31
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   31
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.310   0.898 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.976   2.521 -10.290
    5    HD1  HIS  80           HD1      HIS  80   5.410   2.743 -10.715
    6    HD2  HIS  80           HD2      HIS  80   4.379  -1.179  -9.753
    7    HE1  HIS  80           HE1      HIS  80   7.536   1.369 -10.921
    8    HE2  HIS  80           HE2      HIS  80   6.919  -1.026 -10.337

  No H/Q in entry =           8
  In of MODEL   31
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   31
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   31
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   31
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   31
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   31
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   31
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   31
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   31
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   31
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   31
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   31
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   31
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   31
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   31
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   31
    1    H    PHE   9           H        PHE   9 -21.264   0.650  -3.893
    2    HA   PHE   9           HA       PHE   9 -18.515   1.555  -4.549
    3    HB2  PHE   9           HB2      PHE   9 -20.331   2.478  -2.314
    4    HB3  PHE   9           HB3      PHE   9 -18.625   2.901  -2.453
    5    HD1  PHE   9           HD1      PHE   9 -21.988   3.478  -3.731
    6    HD2  PHE   9           HD2      PHE   9 -17.816   4.252  -4.386
    7    HE1  PHE   9           HE1      PHE   9 -22.574   5.311  -5.294
    8    HE2  PHE   9           HE2      PHE   9 -18.402   6.084  -5.953
    9    HZ   PHE   9           HZ       PHE   9 -20.782   6.614  -6.406

  No H/Q in entry =           9
  In of MODEL   31
    1    H    CYS  10           H        CYS  10 -16.876   0.979  -3.189
    2    HA   CYS  10           HA       CYS  10 -17.143  -0.639  -0.834
    3    HB2  CYS  10           HB2      CYS  10 -16.096  -2.640  -1.582
    4    HB3  CYS  10           HB3      CYS  10 -17.320  -2.284  -2.805

  No H/Q in entry =           4
  In of MODEL   31
    1    H    SER  11           H        SER  11 -14.595  -1.316  -0.176
    2    HA   SER  11           HA       SER  11 -13.420   1.194   0.107
    3    HB2  SER  11           HB2      SER  11 -11.297  -0.142   0.700
    4    HB3  SER  11           HB3      SER  11 -12.719  -0.412   1.684
    5    HG   SER  11           HG       SER  11 -12.595  -2.413   1.088

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA  12           H        ALA  12 -12.845  -1.167  -2.589
    2    HA   ALA  12           HA       ALA  12 -11.028   0.898  -3.643
    3    HB2  ALA  12           HB1      ALA  12 -10.130  -1.574  -4.653
    4    HB1  ALA  12           HB2      ALA  12 -10.325  -1.805  -2.916
    5    HB3  ALA  12           HB3      ALA  12  -9.289  -0.514  -3.522

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLY  13           H        GLY  13 -13.105  -1.883  -4.279
    2    HA3  GLY  13           HA2      GLY  13 -14.877  -1.569  -5.937
    3    HA2  GLY  13           HA3      GLY  13 -13.688  -0.748  -6.941

  No H/Q in entry =           3
  In of MODEL   31
    1    H    MET  14           H        MET  14 -12.753  -3.696  -5.223
    2    HA   MET  14           HA       MET  14 -12.603  -4.997  -7.866
    3    HB2  MET  14           HB2      MET  14 -10.497  -4.702  -6.517
    4    HB3  MET  14           HB3      MET  14 -11.169  -5.838  -5.347
    5    HG2  MET  14           HG2      MET  14 -11.560  -7.327  -7.503
    6    HG3  MET  14           HG3      MET  14 -10.265  -6.331  -8.162
    7    HE3  MET  14           HE1      MET  14  -7.833  -7.546  -8.070
    8    HE2  MET  14           HE2      MET  14  -7.157  -7.163  -6.490
    9    HE1  MET  14           HE3      MET  14  -8.147  -5.973  -7.328

  No H/Q in entry =           9
  In of MODEL   31
    1    H    SER  15           H        SER  15 -12.875  -6.292  -4.570
    2    HA   SER  15           HA       SER  15 -14.097  -8.663  -5.183
    3    HB2  SER  15           HB2      SER  15 -15.129  -7.133  -2.829
    4    HB3  SER  15           HB3      SER  15 -14.731  -8.846  -2.966
    5    HG   SER  15           HG       SER  15 -13.147  -6.706  -2.347

  No H/Q in entry =           5
  In of MODEL   31
    1    H    THR  16           H        THR  16 -15.527  -5.485  -5.459
    2    HA   THR  16           HA       THR  16 -18.212  -6.696  -5.643
    3    HB   THR  16           HB       THR  16 -17.461  -3.778  -5.946
    4    HG1  THR  16           HG1      THR  16 -16.945  -4.125  -3.906
    5   HG22  THR  16          HG21      THR  16 -19.924  -3.645  -5.105
    6   HG21  THR  16          HG22      THR  16 -20.021  -5.328  -5.627
    7   HG23  THR  16          HG23      THR  16 -19.629  -4.064  -6.794

  No H/Q in entry =           7
  In of MODEL   31
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   31
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   31
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   31
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   31
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   31
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   31
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   31
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   31
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   31
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   31
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   31
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   31
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   31
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   31
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   31
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   31
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   31
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   31
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   31
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   31
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   31
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   31
    1    HA   PRO  58           HA       PRO  58 -23.310  -4.451   3.148
    2    HB2  PRO  58           HB2      PRO  58 -21.603  -6.873   3.254
    3    HB3  PRO  58           HB3      PRO  58 -23.364  -6.721   3.386
    4    HG2  PRO  58           HG2      PRO  58 -22.177  -7.716   1.201
    5    HG3  PRO  58           HG3      PRO  58 -23.675  -6.774   1.122
    6    HD2  PRO  58           HD2      PRO  58 -20.883  -5.928   0.414
    7    HD3  PRO  58           HD3      PRO  58 -22.439  -5.473  -0.320

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   31
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   31
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   31
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   31
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   31
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   31
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   31
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   31
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   31
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   31
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   31
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   31
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   31
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   31
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   31
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   31
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   31
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   31
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   31
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   31
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   31
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   31
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   31
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   31
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   31
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   31
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   31
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   31
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   31
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   31
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   31
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   32
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.268 -14.246  -2.757
    4    HB3  GLU   5           HB3      GLU   5 -14.675 -13.973  -1.727
    5    HG2  GLU   5           HG2      GLU   5 -13.291 -11.586  -2.881
    6    HG3  GLU   5           HG3      GLU   5 -14.309 -12.553  -3.949

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   32
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   32
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   32
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.707  -8.433   1.541
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.710   1.346
    5    HG2  MET   9           HG2      MET   9 -14.274  -6.786  -0.968
    6    HG3  MET   9           HG3      MET   9 -13.810  -8.478  -0.791
    7    HE3  MET   9           HE1      MET   9 -17.428  -6.740   0.530
    8    HE2  MET   9           HE2      MET   9 -17.792  -6.468  -1.170
    9    HE1  MET   9           HE3      MET   9 -16.289  -5.861  -0.493

  No H/Q in entry =           9
  In of MODEL   32
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   32
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.382   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.240  -6.171   0.973
    5   HG13  ILE  12          HG13      ILE  12  -9.706  -5.432  -0.546
    6   HG21  ILE  12          HG21      ILE  12 -10.248  -2.043   0.915
    7   HG23  ILE  12          HG22      ILE  12 -10.262  -2.964  -0.590
    8   HG22  ILE  12          HG23      ILE  12  -8.735  -2.624   0.234
    9   HD11  ILE  12          HD11      ILE  12  -7.628  -3.976  -0.303
   10   HD13  ILE  12          HD12      ILE  12  -7.334  -5.683  -0.582
   11   HD12  ILE  12          HD13      ILE  12  -7.181  -5.017   1.038

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.495  -3.072   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.926  -3.520   3.579
    6   HG22  ILE  13          HG21      ILE  13 -15.158  -1.869   5.692
    7   HG21  ILE  13          HG22      ILE  13 -13.895  -0.662   5.447
    8   HG23  ILE  13          HG23      ILE  13 -13.738  -1.852   6.739
    9   HD11  ILE  13          HD11      ILE  13 -14.209  -0.618   3.425
   10   HD13  ILE  13          HD12      ILE  13 -15.794  -1.371   3.543
   11   HD12  ILE  13          HD13      ILE  13 -14.930  -1.379   2.008

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   32
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   32
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   32
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   32
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   32
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   32
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   32
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   32
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   32
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   32
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   32
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   32
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   32
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   32
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   32
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   32
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   32
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.944  -6.669  10.563
    4    HB3  HIS  52           HB3      HIS  52  -1.112  -7.747  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.205 -10.090  11.757
    6    HD2  HIS  52           HD2      HIS  52   1.304  -7.172   8.991
    7    HE1  HIS  52           HE1      HIS  52   2.426 -10.824  10.787
    8    HE2  HIS  52           HE2      HIS  52   3.111  -9.054   9.099

  No H/Q in entry =           8
  In of MODEL   32
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   32
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   32
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   32
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.218  10.983
    4    HG1  THR  56           HG1      THR  56  -0.030 -12.411  11.510
    5   HG22  THR  56          HG21      THR  56   1.854 -14.284  10.498
    6   HG21  THR  56          HG22      THR  56   0.931 -15.697   9.990
    7   HG23  THR  56          HG23      THR  56   0.883 -15.172  11.671

  No H/Q in entry =           7
  In of MODEL   32
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   32
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.913
    4   HG12  ILE  59          HG12      ILE  59   2.401 -16.239   3.454
    5   HG13  ILE  59          HG13      ILE  59   1.137 -15.356   2.611
    6   HG21  ILE  59          HG21      ILE  59   1.119 -16.018   6.799
    7   HG23  ILE  59          HG22      ILE  59   2.391 -15.066   6.082
    8   HG22  ILE  59          HG23      ILE  59   2.283 -16.783   5.733
    9   HD12  ILE  59          HD11      ILE  59   3.294 -14.239   4.399
   10   HD11  ILE  59          HD12      ILE  59   1.863 -13.306   3.960
   11   HD13  ILE  59          HD13      ILE  59   2.978 -13.853   2.708

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   32
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   32
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   32
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   32
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   32
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   32
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   32
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   32
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LEU  74           H        LEU  74  -4.285 -13.681  -2.350
    2    HA   LEU  74           HA       LEU  74  -3.895 -12.585   0.163
    3    HB2  LEU  74           HB2      LEU  74  -2.977 -14.721  -0.506
    4    HB3  LEU  74           HB3      LEU  74  -1.967 -13.951  -1.725
    5    HG   LEU  74           HG       LEU  74  -0.749 -12.756   0.071
    6   HD13  LEU  74          HD11      LEU  74  -2.282 -12.559   1.848
    7   HD12  LEU  74          HD12      LEU  74  -1.162 -13.791   2.427
    8   HD11  LEU  74          HD13      LEU  74  -2.733 -14.262   1.775
    9   HD21  LEU  74          HD21      LEU  74  -0.303 -15.236  -0.810
   10   HD23  LEU  74          HD22      LEU  74  -0.720 -15.658   0.841
   11   HD22  LEU  74          HD23      LEU  74   0.633 -14.576   0.530

  No H/Q in entry =          11
  In of MODEL   32
    1    H    VAL  75           H        VAL  75  -2.648 -11.581  -2.922
    2    HA   VAL  75           HA       VAL  75  -0.708  -9.745  -1.876
    3    HB   VAL  75           HB       VAL  75  -1.986  -9.895  -4.625
    4   HG11  VAL  75          HG11      VAL  75   0.132  -8.184  -3.418
    5   HG13  VAL  75          HG12      VAL  75  -1.008  -7.817  -4.712
    6   HG12  VAL  75          HG13      VAL  75   0.425  -8.786  -5.048
    7   HG22  VAL  75          HG21      VAL  75  -0.814 -11.970  -4.091
    8   HG21  VAL  75          HG22      VAL  75   0.588 -11.070  -3.512
    9   HG23  VAL  75          HG23      VAL  75   0.168 -11.040  -5.223

  No H/Q in entry =           9
  In of MODEL   32
    1    H    HIS  76           H        HIS  76  -4.297  -9.330  -3.266
    2    HA   HIS  76           HA       HIS  76  -4.639  -6.567  -3.164
    3    HB2  HIS  76           HB2      HIS  76  -6.359  -8.140  -4.055
    4    HB3  HIS  76           HB3      HIS  76  -6.735  -8.632  -2.409
    5    HD1  HIS  76           HD1      HIS  76  -6.013  -5.006  -2.764
    6    HD2  HIS  76           HD2      HIS  76  -9.411  -7.441  -2.954
    7    HE1  HIS  76           HE1      HIS  76  -8.028  -3.456  -2.624

  No H/Q in entry =           7
  In of MODEL   32
    1    H    ALA  77           H        ALA  77  -4.700  -8.941  -0.596
    2    HA   ALA  77           HA       ALA  77  -5.528  -7.032   1.429
    3    HB1  ALA  77           HB1      ALA  77  -4.737  -9.930   1.439
    4    HB3  ALA  77           HB2      ALA  77  -6.254  -9.188   1.944
    5    HB2  ALA  77           HB3      ALA  77  -4.818  -9.031   2.955

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLN  78           H        GLN  78  -2.500  -8.755   0.554
    2    HA   GLN  78           HA       GLN  78  -0.949  -7.681   2.649
    3    HB2  GLN  78           HB2      GLN  78  -0.385  -9.639   1.110
    4    HB3  GLN  78           HB3      GLN  78   0.100  -8.435  -0.083
    5    HG2  GLN  78           HG2      GLN  78   1.699  -7.484   1.542
    6    HG3  GLN  78           HG3      GLN  78   1.234  -8.715   2.714
    7   HE21  GLN  78          HE21      GLN  78   3.928  -8.584   1.847
    8   HE22  GLN  78          HE22      GLN  78   4.263  -9.938   0.879

  No H/Q in entry =           8
  In of MODEL   32
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   32
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.182
    4    HB3  HIS  80           HB3      HIS  80  -5.391  -2.797   2.198
    5    HD1  HIS  80           HD1      HIS  80  -6.715  -0.960   1.158
    6    HD2  HIS  80           HD2      HIS  80  -5.034  -3.469  -1.717
    7    HE1  HIS  80           HE1      HIS  80  -7.590  -0.164  -1.090
    8    HE2  HIS  80           HE2      HIS  80  -6.571  -1.688  -2.851

  No H/Q in entry =           8
  In of MODEL   32
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   32
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   32
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   32
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   32
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   32
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   32
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   32
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   32
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   32
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   32
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.398 -20.418  -4.393
    4    HB3  GLU   5           HB3      GLU   5  11.851 -20.889  -3.507
    5    HG2  GLU   5           HG2      GLU   5   9.855 -19.120  -2.150
    6    HG3  GLU   5           HG3      GLU   5   9.492 -20.839  -2.296

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   32
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   32
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   32
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.035 -16.708   0.856
    4    HB3  MET   9           HB3      MET   9  13.732 -16.163   2.505
    5    HG2  MET   9           HG2      MET   9  11.341 -16.589   2.248
    6    HG3  MET   9           HG3      MET   9  11.579 -17.039   0.559
    7    HE3  MET   9           HE1      MET   9  13.978 -18.314   3.791
    8    HE2  MET   9           HE2      MET   9  12.556 -19.157   4.398
    9    HE1  MET   9           HE3      MET   9  12.469 -17.432   4.053

  No H/Q in entry =           9
  In of MODEL   32
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   32
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.314
    4   HG12  ILE  12          HG12      ILE  12  10.855 -11.553  -0.016
    5   HG13  ILE  12          HG13      ILE  12   9.650 -12.267   1.037
    6   HG23  ILE  12          HG21      ILE  12  10.855 -10.575   4.134
    7   HG22  ILE  12          HG22      ILE  12   9.510 -11.472   3.429
    8   HG21  ILE  12          HG23      ILE  12   9.729  -9.764   3.048
    9   HD11  ILE  12          HD11      ILE  12   8.794  -9.882   1.389
   10   HD13  ILE  12          HD12      ILE  12   8.541 -10.574  -0.203
   11   HD12  ILE  12          HD13      ILE  12   9.850  -9.430   0.060

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.102 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.815 -12.625   4.656
    5   HG13  ILE  13          HG13      ILE  13  15.293 -13.528   4.968
    6   HG22  ILE  13          HG21      ILE  13  17.039 -11.966   6.242
    7   HG21  ILE  13          HG22      ILE  13  16.128 -10.510   6.641
    8   HG23  ILE  13          HG23      ILE  13  17.395 -10.450   5.415
    9   HD11  ILE  13          HD11      ILE  13  14.425 -11.552   7.037
   10   HD13  ILE  13          HD12      ILE  13  15.238 -13.103   7.236
   11   HD12  ILE  13          HD13      ILE  13  13.508 -13.052   6.901

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   32
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   32
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   32
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   32
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   32
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   32
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   32
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   32
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   32
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   32
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   32
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   32
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   32
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   32
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   32
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   32
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   32
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.313  -1.676  -5.686
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.654
    5    HD1  HIS  52           HD1      HIS  52  17.408  -2.058  -9.306
    6    HD2  HIS  52           HD2      HIS  52  14.052  -0.904  -7.120
    7    HE1  HIS  52           HE1      HIS  52  15.733  -1.167 -10.983
    8    HE2  HIS  52           HE2      HIS  52  13.681  -0.458  -9.666

  No H/Q in entry =           8
  In of MODEL   32
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   32
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   32
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   32
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.064
    4    HG1  THR  56           HG1      THR  56  17.610  -3.512 -11.136
    5   HG22  THR  56          HG21      THR  56  16.197  -3.470 -13.597
    6   HG21  THR  56          HG22      THR  56  16.308  -5.097 -14.267
    7   HG23  THR  56          HG23      THR  56  17.774  -4.166 -13.969

  No H/Q in entry =           7
  In of MODEL   32
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   32
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.838  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.895  -7.007 -14.837
    5   HG13  ILE  59          HG13      ILE  59   9.523  -7.864 -13.348
    6   HG21  ILE  59          HG21      ILE  59  13.405  -6.455 -14.313
    7   HG23  ILE  59          HG22      ILE  59  12.107  -5.313 -14.087
    8   HG22  ILE  59          HG23      ILE  59  12.078  -6.408 -15.460
    9   HD12  ILE  59          HD11      ILE  59  10.096  -4.924 -13.695
   10   HD11  ILE  59          HD12      ILE  59  10.151  -5.710 -12.117
   11   HD13  ILE  59          HD13      ILE  59   8.645  -5.676 -13.034

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   32
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   32
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   32
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   32
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   32
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   32
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   32
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   32
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LEU  74           H        LEU  74   7.006 -13.167  -8.616
    2    HA   LEU  74           HA       LEU  74   8.960 -11.255  -8.142
    3    HB2  LEU  74           HB2      LEU  74   8.300 -11.947 -10.367
    4    HB3  LEU  74           HB3      LEU  74   6.676 -11.312 -10.125
    5    HG   LEU  74           HG       LEU  74   7.625  -9.030  -9.922
    6   HD13  LEU  74          HD11      LEU  74   9.823  -9.329  -9.136
    7   HD12  LEU  74          HD12      LEU  74  10.066  -8.876 -10.822
    8   HD11  LEU  74          HD13      LEU  74  10.187 -10.567 -10.337
    9   HD21  LEU  74          HD21      LEU  74   7.002 -10.329 -12.168
   10   HD23  LEU  74          HD22      LEU  74   8.721 -10.167 -12.476
   11   HD22  LEU  74          HD23      LEU  74   7.737  -8.729 -12.230

  No H/Q in entry =          11
  In of MODEL   32
    1    H    VAL  75           H        VAL  75   5.487 -11.022  -7.854
    2    HA   VAL  75           HA       VAL  75   5.374  -8.227  -7.307
    3    HB   VAL  75           HB       VAL  75   3.443 -10.456  -6.594
    4   HG11  VAL  75          HG11      VAL  75   3.382  -7.492  -6.213
    5   HG13  VAL  75          HG12      VAL  75   2.701  -8.767  -5.202
    6   HG12  VAL  75          HG13      VAL  75   1.885  -8.292  -6.691
    7   HG22  VAL  75          HG21      VAL  75   3.730 -10.256  -9.005
    8   HG21  VAL  75          HG22      VAL  75   3.572  -8.503  -8.920
    9   HG23  VAL  75          HG23      VAL  75   2.183  -9.529  -8.569

  No H/Q in entry =           9
  In of MODEL   32
    1    H    HIS  76           H        HIS  76   5.553 -11.185  -5.148
    2    HA   HIS  76           HA       HIS  76   5.272  -9.940  -2.665
    3    HB2  HIS  76           HB2      HIS  76   5.404 -12.417  -3.053
    4    HB3  HIS  76           HB3      HIS  76   7.148 -12.238  -3.258
    5    HD1  HIS  76           HD1      HIS  76   7.610 -13.594  -1.067
    6    HD2  HIS  76           HD2      HIS  76   5.410 -10.104  -0.467
    7    HE1  HIS  76           HE1      HIS  76   7.606 -13.170   1.429

  No H/Q in entry =           7
  In of MODEL   32
    1    H    ALA  77           H        ALA  77   8.186 -10.433  -4.633
    2    HA   ALA  77           HA       ALA  77   9.942  -9.159  -2.766
    3    HB2  ALA  77           HB1      ALA  77  10.141 -10.029  -5.628
    4    HB1  ALA  77           HB2      ALA  77  11.084 -10.551  -4.233
    5    HB3  ALA  77           HB3      ALA  77  11.386  -8.973  -4.959

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLN  78           H        GLN  78   8.180  -8.074  -5.657
    2    HA   GLN  78           HA       GLN  78   9.313  -5.482  -5.761
    3    HB2  GLN  78           HB2      GLN  78   7.961  -6.699  -7.563
    4    HB3  GLN  78           HB3      GLN  78   6.524  -6.211  -6.665
    5    HG2  GLN  78           HG2      GLN  78   7.214  -3.850  -6.852
    6    HG3  GLN  78           HG3      GLN  78   8.636  -4.341  -7.771
    7   HE21  GLN  78          HE21      GLN  78   6.751  -2.602  -8.970
    8   HE22  GLN  78          HE22      GLN  78   5.932  -3.438 -10.199

  No H/Q in entry =           8
  In of MODEL   32
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   32
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.176  -7.448  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.035  -6.563   0.743
    5    HD1  HIS  80           HD1      HIS  80   9.390  -7.080   3.092
    6    HD2  HIS  80           HD2      HIS  80   6.438  -8.254   0.391
    7    HE1  HIS  80           HE1      HIS  80   7.604  -8.272   4.450
    8    HE2  HIS  80           HE2      HIS  80   5.798  -8.991   2.813

  No H/Q in entry =           8
  In of MODEL   32
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   32
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   32
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   32
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   32
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   32
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   32
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   32
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   32
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   32
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   32
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.122  -6.385 -21.714
    4    HB3  GLU   5           HB3      GLU   5   0.399  -5.162 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.197  -5.191 -20.561
    6    HG3  GLU   5           HG3      GLU   5   2.439  -6.416 -21.803

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   32
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   32
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   32
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.884   0.428 -20.999
    4    HB3  MET   9           HB3      MET   9   4.421   1.173 -20.555
    5    HG2  MET   9           HG2      MET   9   5.226  -0.946 -19.646
    6    HG3  MET   9           HG3      MET   9   3.667  -1.705 -19.968
    7    HE3  MET   9           HE1      MET   9   5.796   0.783 -22.635
    8    HE2  MET   9           HE2      MET   9   7.031  -0.474 -22.670
    9    HE1  MET   9           HE3      MET   9   6.517   0.204 -21.127

  No H/Q in entry =           9
  In of MODEL   32
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   32
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.478   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.660   0.285 -14.879
    5   HG13  ILE  12          HG13      ILE  12   4.202  -0.540 -14.968
    6   HG23  ILE  12          HG21      ILE  12   6.264   2.524 -14.477
    7   HG22  ILE  12          HG22      ILE  12   6.299   0.761 -14.464
    8   HG21  ILE  12          HG23      ILE  12   5.630   1.639 -13.090
    9   HD11  ILE  12          HD11      ILE  12   4.533   0.168 -12.538
   10   HD13  ILE  12          HD12      ILE  12   3.289  -1.035 -12.832
   11   HD12  ILE  12          HD13      ILE  12   2.843   0.645 -12.562

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.811 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.821   3.926 -17.797
    5   HG13  ILE  13          HG13      ILE  13   5.631   4.714 -19.360
    6   HG22  ILE  13          HG21      ILE  13   5.854   7.350 -19.064
    7   HG21  ILE  13          HG22      ILE  13   6.369   7.577 -17.392
    8   HG23  ILE  13          HG23      ILE  13   4.742   8.043 -17.884
    9   HD11  ILE  13          HD11      ILE  13   7.571   5.929 -17.439
   10   HD13  ILE  13          HD12      ILE  13   7.643   5.829 -19.198
   11   HD12  ILE  13          HD13      ILE  13   8.032   4.416 -18.218

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   32
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   32
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   32
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   32
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   32
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   32
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   32
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   32
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   32
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   32
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   32
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   32
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   32
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   32
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   32
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   32
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   32
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.035  -8.750
    4    HB3  HIS  52           HB3      HIS  52  -7.529   7.693  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.729   6.153  -9.289
    6    HD2  HIS  52           HD2      HIS  52  -6.567   5.138  -6.770
    7    HE1  HIS  52           HE1      HIS  52 -10.694   4.643  -7.506
    8    HE2  HIS  52           HE2      HIS  52  -8.781   4.019  -5.954

  No H/Q in entry =           8
  In of MODEL   32
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   32
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   32
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   32
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.900   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -11.255   4.792 -10.421
    5   HG22  THR  56          HG21      THR  56 -12.949   2.776  -9.432
    6   HG21  THR  56          HG22      THR  56 -13.310   1.680 -10.766
    7   HG23  THR  56          HG23      THR  56 -13.809   3.367 -10.854

  No H/Q in entry =           7
  In of MODEL   32
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   32
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.669  -1.966 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.928  -4.295  -8.965
    5   HG13  ILE  59          HG13      ILE  59  -9.369  -4.451  -9.759
    6   HG23  ILE  59          HG21      ILE  59 -11.927  -1.116 -10.311
    7   HG22  ILE  59          HG22      ILE  59 -11.499  -1.686  -8.719
    8   HG21  ILE  59          HG23      ILE  59 -12.551  -2.652  -9.739
    9   HD12  ILE  59          HD11      ILE  59 -10.119  -2.678  -7.451
   10   HD11  ILE  59          HD12      ILE  59  -8.723  -2.303  -8.459
   11   HD13  ILE  59          HD13      ILE  59  -8.784  -3.825  -7.571

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   32
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   32
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   32
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   32
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   32
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   32
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   32
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   32
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LEU  74           H        LEU  74  -3.313  -7.015 -13.415
    2    HA   LEU  74           HA       LEU  74  -3.948  -4.380 -12.844
    3    HB2  LEU  74           HB2      LEU  74  -5.591  -6.164 -12.863
    4    HB3  LEU  74           HB3      LEU  74  -4.799  -6.964 -11.512
    5    HG   LEU  74           HG       LEU  74  -5.326  -5.010 -10.077
    6   HD13  LEU  74          HD11      LEU  74  -5.475  -3.177 -11.546
    7   HD12  LEU  74          HD12      LEU  74  -7.158  -3.475 -11.115
    8   HD11  LEU  74          HD13      LEU  74  -6.533  -4.035 -12.665
    9   HD21  LEU  74          HD21      LEU  74  -6.914  -7.082 -10.637
   10   HD23  LEU  74          HD22      LEU  74  -7.920  -5.833 -11.352
   11   HD22  LEU  74          HD23      LEU  74  -7.497  -5.745  -9.646

  No H/Q in entry =          11
  In of MODEL   32
    1    H    VAL  75           H        VAL  75  -2.309  -6.751 -10.880
    2    HA   VAL  75           HA       VAL  75  -2.158  -5.188  -8.500
    3    HB   VAL  75           HB       VAL  75  -0.411  -7.477  -9.440
    4   HG11  VAL  75          HG11      VAL  75  -0.516  -5.852  -6.930
    5   HG13  VAL  75          HG12      VAL  75   0.876  -6.570  -7.740
    6   HG12  VAL  75          HG13      VAL  75  -0.207  -7.581  -6.784
    7   HG22  VAL  75          HG21      VAL  75  -2.747  -8.160  -9.208
    8   HG21  VAL  75          HG22      VAL  75  -2.861  -7.359  -7.641
    9   HG23  VAL  75          HG23      VAL  75  -1.838  -8.780  -7.831

  No H/Q in entry =           9
  In of MODEL   32
    1    H    HIS  76           H        HIS  76   0.120  -5.657 -11.326
    2    HA   HIS  76           HA       HIS  76   2.307  -4.207 -10.376
    3    HB2  HIS  76           HB2      HIS  76   2.095  -5.525 -12.570
    4    HB3  HIS  76           HB3      HIS  76   1.386  -4.055 -13.242
    5    HD1  HIS  76           HD1      HIS  76   3.215  -2.993 -14.578
    6    HD2  HIS  76           HD2      HIS  76   4.587  -4.326 -10.875
    7    HE1  HIS  76           HE1      HIS  76   5.622  -2.229 -14.389

  No H/Q in entry =           7
  In of MODEL   32
    1    H    ALA  77           H        ALA  77  -0.583  -3.068 -12.092
    2    HA   ALA  77           HA       ALA  77   0.208  -0.319 -12.087
    3    HB2  ALA  77           HB1      ALA  77  -2.336  -1.810 -12.643
    4    HB1  ALA  77           HB2      ALA  77  -1.386  -0.782 -13.716
    5    HB3  ALA  77           HB3      ALA  77  -2.386  -0.056 -12.458

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLN  78           H        GLN  78  -1.833  -2.316  -9.972
    2    HA   GLN  78           HA       GLN  78  -2.757  -0.198  -8.337
    3    HB2  GLN  78           HB2      GLN  78  -3.655  -2.590  -8.500
    4    HB3  GLN  78           HB3      GLN  78  -2.332  -3.046  -7.427
    5    HG2  GLN  78           HG2      GLN  78  -3.121  -1.398  -5.767
    6    HG3  GLN  78           HG3      GLN  78  -4.462  -0.978  -6.829
    7   HE21  GLN  78          HE21      GLN  78  -5.007  -2.012  -4.247
    8   HE22  GLN  78          HE22      GLN  78  -5.659  -3.572  -4.405

  No H/Q in entry =           8
  In of MODEL   32
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   32
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.310   0.898 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.975   2.521 -10.290
    5    HD1  HIS  80           HD1      HIS  80   5.429   2.757 -10.631
    6    HD2  HIS  80           HD2      HIS  80   4.360  -1.193  -9.837
    7    HE1  HIS  80           HE1      HIS  80   7.550   1.378 -10.857
    8    HE2  HIS  80           HE2      HIS  80   6.910  -1.034 -10.377

  No H/Q in entry =           8
  In of MODEL   32
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   32
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   32
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   32
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   32
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   32
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   32
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   32
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   32
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   32
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   32
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   32
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   32
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   32
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   32
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   32
    1    H    PHE   9           H        PHE   9 -21.282   0.634  -3.909
    2    HA   PHE   9           HA       PHE   9 -18.521   1.523  -4.538
    3    HB2  PHE   9           HB2      PHE   9 -20.341   2.440  -2.304
    4    HB3  PHE   9           HB3      PHE   9 -18.633   2.854  -2.435
    5    HD1  PHE   9           HD1      PHE   9 -21.989   3.488  -3.685
    6    HD2  PHE   9           HD2      PHE   9 -17.811   4.189  -4.386
    7    HE1  PHE   9           HE1      PHE   9 -22.561   5.336  -5.235
    8    HE2  PHE   9           HE2      PHE   9 -18.383   6.038  -5.939
    9    HZ   PHE   9           HZ       PHE   9 -20.758   6.611  -6.363

  No H/Q in entry =           9
  In of MODEL   32
    1    H    CYS  10           H        CYS  10 -16.918   0.906  -3.222
    2    HA   CYS  10           HA       CYS  10 -17.186  -0.763  -0.889
    3    HB2  CYS  10           HB2      CYS  10 -16.124  -2.722  -1.674
    4    HB3  CYS  10           HB3      CYS  10 -17.271  -2.326  -2.958

  No H/Q in entry =           4
  In of MODEL   32
    1    H    SER  11           H        SER  11 -14.473  -1.458  -0.365
    2    HA   SER  11           HA       SER  11 -13.469   1.135   0.030
    3    HB2  SER  11           HB2      SER  11 -12.565  -0.470   1.477
    4    HB3  SER  11           HB3      SER  11 -12.171  -1.571   0.173
    5    HG   SER  11           HG       SER  11 -10.858   0.724   1.058

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA  12           H        ALA  12 -12.209  -1.347  -2.332
    2    HA   ALA  12           HA       ALA  12 -10.824   0.898  -3.639
    3    HB2  ALA  12           HB1      ALA  12  -9.970  -1.531  -4.766
    4    HB1  ALA  12           HB2      ALA  12 -10.108  -1.838  -3.036
    5    HB3  ALA  12           HB3      ALA  12  -9.087  -0.524  -3.619

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLY  13           H        GLY  13 -12.943  -1.868  -4.274
    2    HA3  GLY  13           HA2      GLY  13 -14.774  -1.478  -5.868
    3    HA2  GLY  13           HA3      GLY  13 -13.592  -0.676  -6.896

  No H/Q in entry =           3
  In of MODEL   32
    1    H    MET  14           H        MET  14 -12.729  -3.647  -5.203
    2    HA   MET  14           HA       MET  14 -12.586  -4.946  -7.848
    3    HB2  MET  14           HB2      MET  14 -10.476  -4.672  -6.517
    4    HB3  MET  14           HB3      MET  14 -11.155  -5.780  -5.323
    5    HG2  MET  14           HG2      MET  14 -11.380  -7.520  -7.044
    6    HG3  MET  14           HG3      MET  14 -10.746  -6.416  -8.262
    7    HE2  MET  14           HE1      MET  14  -7.642  -8.342  -8.326
    8    HE1  MET  14           HE2      MET  14  -9.177  -7.877  -9.051
    9    HE3  MET  14           HE3      MET  14  -9.113  -9.245  -7.945

  No H/Q in entry =           9
  In of MODEL   32
    1    H    SER  15           H        SER  15 -12.854  -6.267  -4.560
    2    HA   SER  15           HA       SER  15 -14.073  -8.626  -5.202
    3    HB2  SER  15           HB2      SER  15 -13.423  -7.682  -2.877
    4    HB3  SER  15           HB3      SER  15 -15.089  -7.102  -2.830
    5    HG   SER  15           HG       SER  15 -14.219  -9.519  -2.309

  No H/Q in entry =           5
  In of MODEL   32
    1    H    THR  16           H        THR  16 -15.516  -5.455  -5.468
    2    HA   THR  16           HA       THR  16 -18.195  -6.680  -5.631
    3    HB   THR  16           HB       THR  16 -17.448  -3.761  -5.940
    4    HG1  THR  16           HG1      THR  16 -17.040  -5.024  -3.847
    5   HG21  THR  16          HG21      THR  16 -20.008  -5.314  -5.672
    6   HG23  THR  16          HG22      THR  16 -19.607  -4.014  -6.796
    7   HG22  THR  16          HG23      THR  16 -19.924  -3.647  -5.100

  No H/Q in entry =           7
  In of MODEL   32
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   32
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   32
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   32
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   32
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   32
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   32
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   32
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   32
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   32
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   32
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   32
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   32
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   32
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   32
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   32
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   32
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   32
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   32
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   32
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   32
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   32
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   32
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   32
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   32
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   32
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   32
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   32
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   32
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   32
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   32
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   32
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   32
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   32
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   32
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   32
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   32
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   32
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   32
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   32
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   32
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   32
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   32
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   32
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   32
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   32
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   32
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   32
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   32
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   32
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   32
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   32
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   32
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   32
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   33
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.304 -14.310  -2.708
    4    HB3  GLU   5           HB3      GLU   5 -14.709 -13.893  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.800 -12.526  -3.706
    6    HG3  GLU   5           HG3      GLU   5 -14.330 -11.477  -2.369

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   33
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   33
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   33
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.429   1.547
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.707   1.339
    5    HG2  MET   9           HG2      MET   9 -14.295  -6.795  -0.972
    6    HG3  MET   9           HG3      MET   9 -13.791  -8.474  -0.787
    7    HE1  MET   9           HE1      MET   9 -16.348  -5.902  -0.597
    8    HE3  MET   9           HE2      MET   9 -17.362  -6.769   0.552
    9    HE2  MET   9           HE3      MET   9 -17.880  -6.609  -1.119

  No H/Q in entry =           9
  In of MODEL   33
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   33
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.943  -4.385   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.229  -6.168   0.973
    5   HG13  ILE  12          HG13      ILE  12  -9.706  -5.432  -0.545
    6   HG22  ILE  12          HG21      ILE  12  -8.742  -2.617   0.203
    7   HG21  ILE  12          HG22      ILE  12 -10.250  -2.039   0.915
    8   HG23  ILE  12          HG23      ILE  12 -10.273  -2.986  -0.578
    9   HD11  ILE  12          HD11      ILE  12  -7.635  -3.964  -0.311
   10   HD13  ILE  12          HD12      ILE  12  -7.333  -5.670  -0.592
   11   HD12  ILE  12          HD13      ILE  12  -7.176  -5.004   1.027

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.235
    4   HG12  ILE  13          HG12      ILE  13 -13.493  -3.071   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.923  -3.523   3.578
    6   HG22  ILE  13          HG21      ILE  13 -15.156  -1.884   5.707
    7   HG21  ILE  13          HG22      ILE  13 -13.914  -0.662   5.431
    8   HG23  ILE  13          HG23      ILE  13 -13.723  -1.835   6.735
    9   HD12  ILE  13          HD11      ILE  13 -14.939  -1.377   2.012
   10   HD11  ILE  13          HD12      ILE  13 -14.206  -0.623   3.423
   11   HD13  ILE  13          HD13      ILE  13 -15.795  -1.374   3.552

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   33
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   33
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   33
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   33
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   33
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   33
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   33
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   33
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   33
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   33
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   33
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   33
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   33
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   33
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   33
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   33
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   33
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.945  -6.669  10.565
    4    HB3  HIS  52           HB3      HIS  52  -1.110  -7.750  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.199 -10.100  11.736
    6    HD2  HIS  52           HD2      HIS  52   1.310  -7.156   9.003
    7    HE1  HIS  52           HE1      HIS  52   2.423 -10.827  10.766
    8    HE2  HIS  52           HE2      HIS  52   3.115  -9.041   9.098

  No H/Q in entry =           8
  In of MODEL   33
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   33
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   33
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   33
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.217  10.983
    4    HG1  THR  56           HG1      THR  56  -0.185 -12.364  11.469
    5   HG22  THR  56          HG21      THR  56   1.853 -14.283  10.510
    6   HG21  THR  56          HG22      THR  56   0.935 -15.692   9.982
    7   HG23  THR  56          HG23      THR  56   0.875 -15.183  11.668

  No H/Q in entry =           7
  In of MODEL   33
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   33
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.911
    4   HG12  ILE  59          HG12      ILE  59   2.401 -16.242   3.455
    5   HG13  ILE  59          HG13      ILE  59   1.140 -15.357   2.611
    6   HG21  ILE  59          HG21      ILE  59   1.117 -16.013   6.800
    7   HG23  ILE  59          HG22      ILE  59   2.391 -15.066   6.082
    8   HG22  ILE  59          HG23      ILE  59   2.279 -16.784   5.737
    9   HD13  ILE  59          HD11      ILE  59   2.986 -13.860   2.710
   10   HD12  ILE  59          HD12      ILE  59   3.295 -14.244   4.403
   11   HD11  ILE  59          HD13      ILE  59   1.869 -13.307   3.958

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   33
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   33
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   33
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   33
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   33
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   33
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   33
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   33
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LEU  74           H        LEU  74  -4.256 -13.664  -2.370
    2    HA   LEU  74           HA       LEU  74  -3.859 -12.543   0.144
    3    HB2  LEU  74           HB2      LEU  74  -2.958 -14.695  -0.506
    4    HB3  LEU  74           HB3      LEU  74  -1.952 -13.944  -1.739
    5    HG   LEU  74           HG       LEU  74  -0.723 -12.729   0.039
    6   HD12  LEU  74          HD11      LEU  74  -1.131 -13.771   2.402
    7   HD11  LEU  74          HD12      LEU  74  -2.711 -14.205   1.755
    8   HD13  LEU  74          HD13      LEU  74  -2.227 -12.511   1.836
    9   HD22  LEU  74          HD21      LEU  74   0.661 -14.565   0.529
   10   HD21  LEU  74          HD22      LEU  74  -0.262 -15.189  -0.827
   11   HD23  LEU  74          HD23      LEU  74  -0.710 -15.634   0.816

  No H/Q in entry =          11
  In of MODEL   33
    1    H    VAL  75           H        VAL  75  -2.656 -11.576  -2.972
    2    HA   VAL  75           HA       VAL  75  -0.689  -9.739  -1.976
    3    HB   VAL  75           HB       VAL  75  -1.988  -9.634  -4.704
    4   HG13  VAL  75          HG11      VAL  75  -0.508  -7.843  -4.521
    5   HG12  VAL  75          HG12      VAL  75   0.539  -9.092  -5.194
    6   HG11  VAL  75          HG13      VAL  75   0.596  -8.729  -3.470
    7   HG22  VAL  75          HG21      VAL  75  -1.410 -11.964  -4.396
    8   HG21  VAL  75          HG22      VAL  75   0.143 -11.540  -3.677
    9   HG23  VAL  75          HG23      VAL  75  -0.145 -11.240  -5.389

  No H/Q in entry =           9
  In of MODEL   33
    1    H    HIS  76           H        HIS  76  -4.309  -9.338  -3.277
    2    HA   HIS  76           HA       HIS  76  -4.628  -6.561  -3.185
    3    HB2  HIS  76           HB2      HIS  76  -6.358  -8.123  -4.077
    4    HB3  HIS  76           HB3      HIS  76  -6.733  -8.617  -2.432
    5    HD1  HIS  76           HD1      HIS  76  -5.989  -4.993  -2.797
    6    HD2  HIS  76           HD2      HIS  76  -9.403  -7.408  -2.953
    7    HE1  HIS  76           HE1      HIS  76  -7.993  -3.430  -2.645

  No H/Q in entry =           7
  In of MODEL   33
    1    H    ALA  77           H        ALA  77  -4.697  -8.950  -0.626
    2    HA   ALA  77           HA       ALA  77  -5.523  -7.051   1.405
    3    HB2  ALA  77           HB1      ALA  77  -4.834  -9.037   2.930
    4    HB1  ALA  77           HB2      ALA  77  -4.694  -9.942   1.424
    5    HB3  ALA  77           HB3      ALA  77  -6.242  -9.233   1.884

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLN  78           H        GLN  78  -2.490  -8.766   0.538
    2    HA   GLN  78           HA       GLN  78  -0.940  -7.698   2.634
    3    HB2  GLN  78           HB2      GLN  78  -0.367  -9.643   1.085
    4    HB3  GLN  78           HB3      GLN  78   0.106  -8.431  -0.104
    5    HG2  GLN  78           HG2      GLN  78   1.692  -7.471   1.543
    6    HG3  GLN  78           HG3      GLN  78   1.258  -8.743   2.681
    7   HE21  GLN  78          HE21      GLN  78   3.145 -10.034   2.704
    8   HE22  GLN  78          HE22      GLN  78   3.837 -10.718   1.313

  No H/Q in entry =           8
  In of MODEL   33
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   33
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.192
    4    HB3  HIS  80           HB3      HIS  80  -5.393  -2.789   2.194
    5    HD1  HIS  80           HD1      HIS  80  -6.768  -1.005   1.139
    6    HD2  HIS  80           HD2      HIS  80  -4.975  -3.453  -1.720
    7    HE1  HIS  80           HE1      HIS  80  -7.624  -0.218  -1.118
    8    HE2  HIS  80           HE2      HIS  80  -6.537  -1.705  -2.870

  No H/Q in entry =           8
  In of MODEL   33
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   33
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   33
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   33
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   33
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   33
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   33
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   33
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   33
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   33
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   33
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.456 -20.450  -4.427
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.876  -3.434
    5    HG2  GLU   5           HG2      GLU   5   9.908 -21.075  -2.033
    6    HG3  GLU   5           HG3      GLU   5  10.765 -19.619  -1.529

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   33
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   33
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   33
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.038 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.728 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.346 -16.602   2.254
    6    HG3  MET   9           HG3      MET   9  11.575 -17.026   0.557
    7    HE1  MET   9           HE1      MET   9  12.397 -17.537   4.081
    8    HE3  MET   9           HE2      MET   9  13.982 -18.223   3.731
    9    HE2  MET   9           HE3      MET   9  12.692 -19.262   4.331

  No H/Q in entry =           9
  In of MODEL   33
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   33
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.310
    4   HG12  ILE  12          HG12      ILE  12  10.849 -11.543  -0.018
    5   HG13  ILE  12          HG13      ILE  12   9.650 -12.266   1.036
    6   HG21  ILE  12          HG21      ILE  12   9.723  -9.772   3.054
    7   HG23  ILE  12          HG22      ILE  12  10.856 -10.579   4.138
    8   HG22  ILE  12          HG23      ILE  12   9.519 -11.482   3.428
    9   HD11  ILE  12          HD11      ILE  12   8.783  -9.890   1.403
   10   HD13  ILE  12          HD12      ILE  12   8.535 -10.568  -0.197
   11   HD12  ILE  12          HD13      ILE  12   9.839  -9.421   0.079

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.634   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.814 -12.623   4.655
    5   HG13  ILE  13          HG13      ILE  13  15.292 -13.528   4.962
    6   HG22  ILE  13          HG21      ILE  13  17.050 -11.967   6.231
    7   HG21  ILE  13          HG22      ILE  13  16.122 -10.527   6.651
    8   HG23  ILE  13          HG23      ILE  13  17.385 -10.436   5.423
    9   HD12  ILE  13          HD11      ILE  13  13.515 -13.062   6.905
   10   HD11  ILE  13          HD12      ILE  13  14.421 -11.556   7.031
   11   HD13  ILE  13          HD13      ILE  13  15.247 -13.100   7.232

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   33
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   33
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   33
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   33
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   33
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   33
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   33
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   33
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   33
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   33
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   33
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   33
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   33
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   33
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   33
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   33
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   33
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.316  -1.676  -5.685
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.656
    5    HD1  HIS  52           HD1      HIS  52  17.394  -2.072  -9.309
    6    HD2  HIS  52           HD2      HIS  52  14.056  -0.889  -7.111
    7    HE1  HIS  52           HE1      HIS  52  15.717  -1.177 -10.981
    8    HE2  HIS  52           HE2      HIS  52  13.676  -0.450  -9.657

  No H/Q in entry =           8
  In of MODEL   33
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   33
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   33
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   33
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.062
    4    HG1  THR  56           HG1      THR  56  17.630  -3.629 -11.003
    5   HG22  THR  56          HG21      THR  56  16.206  -3.468 -13.600
    6   HG21  THR  56          HG22      THR  56  16.304  -5.098 -14.265
    7   HG23  THR  56          HG23      THR  56  17.777  -4.177 -13.972

  No H/Q in entry =           7
  In of MODEL   33
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   33
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.837  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.896  -7.010 -14.838
    5   HG13  ILE  59          HG13      ILE  59   9.523  -7.861 -13.348
    6   HG21  ILE  59          HG21      ILE  59  13.406  -6.455 -14.310
    7   HG23  ILE  59          HG22      ILE  59  12.107  -5.313 -14.087
    8   HG22  ILE  59          HG23      ILE  59  12.081  -6.409 -15.459
    9   HD13  ILE  59          HD11      ILE  59   8.647  -5.672 -13.041
   10   HD12  ILE  59          HD12      ILE  59  10.100  -4.923 -13.703
   11   HD11  ILE  59          HD13      ILE  59  10.152  -5.703 -12.122

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   33
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   33
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   33
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   33
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   33
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   33
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   33
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   33
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LEU  74           H        LEU  74   6.989 -13.150  -8.610
    2    HA   LEU  74           HA       LEU  74   8.921 -11.205  -8.124
    3    HB2  LEU  74           HB2      LEU  74   8.286 -11.923 -10.353
    4    HB3  LEU  74           HB3      LEU  74   6.653 -11.306 -10.125
    5    HG   LEU  74           HG       LEU  74   7.580  -9.011  -9.917
    6   HD12  LEU  74          HD11      LEU  74  10.024  -8.853 -10.825
    7   HD11  LEU  74          HD12      LEU  74  10.152 -10.533 -10.309
    8   HD13  LEU  74          HD13      LEU  74   9.783  -9.274  -9.131
    9   HD22  LEU  74          HD21      LEU  74   7.717  -8.713 -12.245
   10   HD21  LEU  74          HD22      LEU  74   6.963 -10.295 -12.151
   11   HD23  LEU  74          HD23      LEU  74   8.690 -10.166 -12.463

  No H/Q in entry =          11
  In of MODEL   33
    1    H    VAL  75           H        VAL  75   5.438 -11.049  -7.842
    2    HA   VAL  75           HA       VAL  75   5.262  -8.252  -7.327
    3    HB   VAL  75           HB       VAL  75   3.334 -10.362  -6.336
    4   HG13  VAL  75          HG11      VAL  75   2.670  -8.268  -5.509
    5   HG12  VAL  75          HG12      VAL  75   1.745  -8.402  -7.005
    6   HG11  VAL  75          HG13      VAL  75   3.208  -7.419  -6.958
    7   HG22  VAL  75          HG21      VAL  75   3.691 -10.890  -8.665
    8   HG21  VAL  75          HG22      VAL  75   3.658  -9.187  -9.117
    9   HG23  VAL  75          HG23      VAL  75   2.183  -9.981  -8.573

  No H/Q in entry =           9
  In of MODEL   33
    1    H    HIS  76           H        HIS  76   5.518 -11.175  -5.127
    2    HA   HIS  76           HA       HIS  76   5.233  -9.871  -2.665
    3    HB2  HIS  76           HB2      HIS  76   5.397 -12.385  -3.098
    4    HB3  HIS  76           HB3      HIS  76   7.147 -12.159  -3.122
    5    HD1  HIS  76           HD1      HIS  76   7.886 -13.045  -0.890
    6    HD2  HIS  76           HD2      HIS  76   4.603 -10.500  -0.539
    7    HE1  HIS  76           HE1      HIS  76   7.491 -12.724   1.590

  No H/Q in entry =           7
  In of MODEL   33
    1    H    ALA  77           H        ALA  77   8.151 -10.450  -4.617
    2    HA   ALA  77           HA       ALA  77   9.926  -9.168  -2.786
    3    HB3  ALA  77           HB1      ALA  77  11.371  -9.013  -4.958
    4    HB2  ALA  77           HB2      ALA  77  10.100 -10.011  -5.664
    5    HB1  ALA  77           HB3      ALA  77  11.014 -10.601  -4.277

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLN  78           H        GLN  78   8.153  -8.078  -5.662
    2    HA   GLN  78           HA       GLN  78   9.295  -5.489  -5.784
    3    HB2  GLN  78           HB2      GLN  78   7.924  -6.705  -7.571
    4    HB3  GLN  78           HB3      GLN  78   6.497  -6.214  -6.660
    5    HG2  GLN  78           HG2      GLN  78   7.214  -3.850  -6.846
    6    HG3  GLN  78           HG3      GLN  78   8.597  -4.359  -7.814
    7   HE21  GLN  78          HE21      GLN  78   8.044  -3.598  -9.893
    8   HE22  GLN  78          HE22      GLN  78   6.601  -3.998 -10.693

  No H/Q in entry =           8
  In of MODEL   33
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   33
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.185  -7.444  -0.520
    4    HB3  HIS  80           HB3      HIS  80  10.031  -6.562   0.753
    5    HD1  HIS  80           HD1      HIS  80   9.387  -7.129   3.087
    6    HD2  HIS  80           HD2      HIS  80   6.422  -8.226   0.368
    7    HE1  HIS  80           HE1      HIS  80   7.588  -8.322   4.426
    8    HE2  HIS  80           HE2      HIS  80   5.774  -8.995   2.777

  No H/Q in entry =           8
  In of MODEL   33
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   33
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   33
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   33
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   33
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   33
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   33
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   33
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   33
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   33
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   33
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.078  -6.374 -21.762
    4    HB3  GLU   5           HB3      GLU   5   0.455  -5.128 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.546  -6.103 -22.266
    6    HG3  GLU   5           HG3      GLU   5   2.454  -4.505 -21.532

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   33
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   33
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   33
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.435 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.224  -0.954 -19.658
    6    HG3  MET   9           HG3      MET   9   3.657  -1.704 -19.961
    7    HE1  MET   9           HE1      MET   9   6.572   0.124 -21.181
    8    HE3  MET   9           HE2      MET   9   5.713   0.815 -22.555
    9    HE2  MET   9           HE3      MET   9   6.926  -0.435 -22.821

  No H/Q in entry =           9
  In of MODEL   33
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   33
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.475   1.686 -15.888
    4   HG12  ILE  12          HG12      ILE  12   2.660   0.285 -14.870
    5   HG13  ILE  12          HG13      ILE  12   4.202  -0.540 -14.967
    6   HG21  ILE  12          HG21      ILE  12   5.636   1.636 -13.093
    7   HG23  ILE  12          HG22      ILE  12   6.268   2.524 -14.479
    8   HG22  ILE  12          HG23      ILE  12   6.297   0.762 -14.474
    9   HD11  ILE  12          HD11      ILE  12   4.546   0.166 -12.539
   10   HD13  ILE  12          HD12      ILE  12   3.297  -1.034 -12.826
   11   HD12  ILE  12          HD13      ILE  12   2.857   0.647 -12.553

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.812 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.823   3.927 -17.793
    5   HG13  ILE  13          HG13      ILE  13   5.626   4.709 -19.359
    6   HG22  ILE  13          HG21      ILE  13   5.831   7.356 -19.071
    7   HG21  ILE  13          HG22      ILE  13   6.388   7.565 -17.410
    8   HG23  ILE  13          HG23      ILE  13   4.752   8.047 -17.859
    9   HD12  ILE  13          HD11      ILE  13   8.037   4.422 -18.238
   10   HD11  ILE  13          HD12      ILE  13   7.569   5.922 -17.440
   11   HD13  ILE  13          HD13      ILE  13   7.632   5.843 -19.200

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   33
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   33
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   33
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   33
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   33
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   33
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   33
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   33
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   33
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   33
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   33
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   33
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   33
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   33
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   33
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   33
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   33
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.038  -8.752
    4    HB3  HIS  52           HB3      HIS  52  -7.532   7.691  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.723   6.129  -9.294
    6    HD2  HIS  52           HD2      HIS  52  -6.561   5.156  -6.759
    7    HE1  HIS  52           HE1      HIS  52 -10.681   4.622  -7.505
    8    HE2  HIS  52           HE2      HIS  52  -8.768   4.023  -5.944

  No H/Q in entry =           8
  In of MODEL   33
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   33
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   33
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   33
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.900   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -11.130   4.803 -10.540
    5   HG22  THR  56          HG21      THR  56 -12.950   2.779  -9.433
    6   HG21  THR  56          HG22      THR  56 -13.308   1.678 -10.763
    7   HG23  THR  56          HG23      THR  56 -13.810   3.365 -10.857

  No H/Q in entry =           7
  In of MODEL   33
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   33
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.667  -1.968 -10.405
    4   HG12  ILE  59          HG12      ILE  59 -10.931  -4.303  -8.976
    5   HG13  ILE  59          HG13      ILE  59  -9.363  -4.445  -9.753
    6   HG23  ILE  59          HG21      ILE  59 -11.923  -1.112 -10.312
    7   HG22  ILE  59          HG22      ILE  59 -11.499  -1.683  -8.720
    8   HG21  ILE  59          HG23      ILE  59 -12.552  -2.647  -9.742
    9   HD13  ILE  59          HD11      ILE  59  -8.803  -3.820  -7.559
   10   HD12  ILE  59          HD12      ILE  59 -10.153  -2.693  -7.444
   11   HD11  ILE  59          HD13      ILE  59  -8.752  -2.291  -8.436

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   33
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   33
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   33
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   33
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   33
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   33
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   33
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   33
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LEU  74           H        LEU  74  -3.303  -7.018 -13.390
    2    HA   LEU  74           HA       LEU  74  -3.922  -4.376 -12.785
    3    HB2  LEU  74           HB2      LEU  74  -5.575  -6.155 -12.833
    4    HB3  LEU  74           HB3      LEU  74  -4.788  -6.976 -11.491
    5    HG   LEU  74           HG       LEU  74  -5.301  -5.029 -10.037
    6   HD12  LEU  74          HD11      LEU  74  -7.144  -3.493 -11.070
    7   HD11  LEU  74          HD12      LEU  74  -6.493  -4.029 -12.617
    8   HD13  LEU  74          HD13      LEU  74  -5.458  -3.174 -11.474
    9   HD22  LEU  74          HD21      LEU  74  -7.498  -5.752  -9.616
   10   HD21  LEU  74          HD22      LEU  74  -6.885  -7.083 -10.582
   11   HD23  LEU  74          HD23      LEU  74  -7.891  -5.849 -11.332

  No H/Q in entry =          11
  In of MODEL   33
    1    H    VAL  75           H        VAL  75  -2.280  -6.795 -10.874
    2    HA   VAL  75           HA       VAL  75  -2.125  -5.290  -8.460
    3    HB   VAL  75           HB       VAL  75  -0.154  -7.407  -9.329
    4   HG13  VAL  75          HG11      VAL  75   0.545  -6.493  -7.283
    5   HG12  VAL  75          HG12      VAL  75  -0.431  -7.868  -6.770
    6   HG11  VAL  75          HG13      VAL  75  -1.108  -6.241  -6.722
    7   HG22  VAL  75          HG21      VAL  75  -2.336  -8.371  -9.749
    8   HG21  VAL  75          HG22      VAL  75  -2.975  -7.718  -8.241
    9   HG23  VAL  75          HG23      VAL  75  -1.775  -9.008  -8.204

  No H/Q in entry =           9
  In of MODEL   33
    1    H    HIS  76           H        HIS  76   0.156  -5.676 -11.298
    2    HA   HIS  76           HA       HIS  76   2.317  -4.206 -10.294
    3    HB2  HIS  76           HB2      HIS  76   2.190  -5.534 -12.479
    4    HB3  HIS  76           HB3      HIS  76   1.447  -4.096 -13.179
    5    HD1  HIS  76           HD1      HIS  76   3.272  -3.010 -14.505
    6    HD2  HIS  76           HD2      HIS  76   4.605  -4.217 -10.745
    7    HE1  HIS  76           HE1      HIS  76   5.647  -2.161 -14.281

  No H/Q in entry =           7
  In of MODEL   33
    1    H    ALA  77           H        ALA  77  -0.553  -3.107 -12.081
    2    HA   ALA  77           HA       ALA  77   0.204  -0.355 -12.087
    3    HB2  ALA  77           HB1      ALA  77  -2.367  -0.096 -12.487
    4    HB3  ALA  77           HB2      ALA  77  -2.349  -1.855 -12.605
    5    HB1  ALA  77           HB3      ALA  77  -1.386  -0.889 -13.721

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLN  78           H        GLN  78  -1.822  -2.345  -9.959
    2    HA   GLN  78           HA       GLN  78  -2.764  -0.221  -8.338
    3    HB2  GLN  78           HB2      GLN  78  -3.652  -2.616  -8.486
    4    HB3  GLN  78           HB3      GLN  78  -2.323  -3.063  -7.416
    5    HG2  GLN  78           HG2      GLN  78  -3.115  -1.391  -5.769
    6    HG3  GLN  78           HG3      GLN  78  -4.477  -1.019  -6.823
    7   HE21  GLN  78          HE21      GLN  78  -6.236  -1.916  -5.677
    8   HE22  GLN  78          HE22      GLN  78  -6.315  -3.538  -5.184

  No H/Q in entry =           8
  In of MODEL   33
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   33
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.304   0.906 -10.476
    4    HB3  HIS  80           HB3      HIS  80   2.985   2.522 -10.288
    5    HD1  HIS  80           HD1      HIS  80   5.431   2.729 -10.673
    6    HD2  HIS  80           HD2      HIS  80   4.344  -1.199  -9.798
    7    HE1  HIS  80           HE1      HIS  80   7.541   1.333 -10.892
    8    HE2  HIS  80           HE2      HIS  80   6.890  -1.066 -10.362

  No H/Q in entry =           8
  In of MODEL   33
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   33
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   33
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   33
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   33
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   33
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   33
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   33
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   33
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   33
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   33
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   33
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   33
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   33
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   33
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   33
    1    H    PHE   9           H        PHE   9 -21.282   0.633  -3.909
    2    HA   PHE   9           HA       PHE   9 -18.523   1.528  -4.538
    3    HB2  PHE   9           HB2      PHE   9 -20.346   2.442  -2.305
    4    HB3  PHE   9           HB3      PHE   9 -18.637   2.859  -2.435
    5    HD1  PHE   9           HD1      PHE   9 -21.993   3.486  -3.692
    6    HD2  PHE   9           HD2      PHE   9 -17.815   4.197  -4.382
    7    HE1  PHE   9           HE1      PHE   9 -22.565   5.334  -5.242
    8    HE2  PHE   9           HE2      PHE   9 -18.387   6.044  -5.936
    9    HZ   PHE   9           HZ       PHE   9 -20.762   6.613  -6.366

  No H/Q in entry =           9
  In of MODEL   33
    1    H    CYS  10           H        CYS  10 -16.915   0.911  -3.225
    2    HA   CYS  10           HA       CYS  10 -17.188  -0.753  -0.890
    3    HB2  CYS  10           HB2      CYS  10 -16.132  -2.718  -1.670
    4    HB3  CYS  10           HB3      CYS  10 -17.276  -2.321  -2.955

  No H/Q in entry =           4
  In of MODEL   33
    1    H    SER  11           H        SER  11 -14.472  -1.454  -0.363
    2    HA   SER  11           HA       SER  11 -13.464   1.138   0.022
    3    HB2  SER  11           HB2      SER  11 -12.559  -0.465   1.471
    4    HB3  SER  11           HB3      SER  11 -12.169  -1.569   0.169
    5    HG   SER  11           HG       SER  11 -10.607  -0.047  -0.537

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA  12           H        ALA  12 -12.211  -1.346  -2.342
    2    HA   ALA  12           HA       ALA  12 -10.832   0.898  -3.658
    3    HB3  ALA  12           HB1      ALA  12  -9.082  -0.501  -3.595
    4    HB2  ALA  12           HB2      ALA  12  -9.929  -1.527  -4.752
    5    HB1  ALA  12           HB3      ALA  12 -10.094  -1.827  -3.022

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLY  13           H        GLY  13 -12.982  -1.837  -4.244
    2    HA3  GLY  13           HA2      GLY  13 -14.786  -1.494  -5.856
    3    HA2  GLY  13           HA3      GLY  13 -13.611  -0.690  -6.889

  No H/Q in entry =           3
  In of MODEL   33
    1    H    MET  14           H        MET  14 -12.733  -3.653  -5.183
    2    HA   MET  14           HA       MET  14 -12.573  -4.950  -7.827
    3    HB2  MET  14           HB2      MET  14 -10.473  -4.679  -6.485
    4    HB3  MET  14           HB3      MET  14 -11.160  -5.781  -5.291
    5    HG2  MET  14           HG2      MET  14 -11.409  -7.511  -7.048
    6    HG3  MET  14           HG3      MET  14 -10.681  -6.414  -8.220
    7    HE3  MET  14           HE1      MET  14  -8.979  -9.454  -7.542
    8    HE2  MET  14           HE2      MET  14  -7.765  -8.416  -8.284
    9    HE1  MET  14           HE3      MET  14  -9.452  -8.274  -8.770

  No H/Q in entry =           9
  In of MODEL   33
    1    H    SER  15           H        SER  15 -12.863  -6.281  -4.547
    2    HA   SER  15           HA       SER  15 -14.083  -8.638  -5.192
    3    HB2  SER  15           HB2      SER  15 -15.126  -7.136  -2.823
    4    HB3  SER  15           HB3      SER  15 -14.736  -8.849  -2.981
    5    HG   SER  15           HG       SER  15 -13.112  -6.675  -2.443

  No H/Q in entry =           5
  In of MODEL   33
    1    H    THR  16           H        THR  16 -15.522  -5.463  -5.462
    2    HA   THR  16           HA       THR  16 -18.202  -6.684  -5.636
    3    HB   THR  16           HB       THR  16 -17.457  -3.765  -5.946
    4    HG1  THR  16           HG1      THR  16 -16.919  -4.805  -3.879
    5   HG21  THR  16          HG21      THR  16 -20.018  -5.316  -5.627
    6   HG23  THR  16          HG22      THR  16 -19.623  -4.058  -6.800
    7   HG22  THR  16          HG23      THR  16 -19.921  -3.630  -5.115

  No H/Q in entry =           7
  In of MODEL   33
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   33
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   33
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   33
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   33
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   33
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   33
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   33
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   33
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   33
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   33
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   33
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   33
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   33
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   33
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   33
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   33
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   33
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   33
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   33
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   33
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   33
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   33
    1    HA   PRO  58           HA       PRO  58 -23.312  -4.437   3.147
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.794  -7.078   1.794
    5    HG3  PRO  58           HG3      PRO  58 -22.329  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.007
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   33
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   33
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   33
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   33
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   33
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   33
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   33
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   33
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   33
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   33
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   33
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   33
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   33
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   33
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   33
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   33
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   33
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   33
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   33
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   33
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   33
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   33
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   33
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   33
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   33
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   33
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   33
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   33
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   33
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   33
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   33
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   34
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.274 -14.257  -2.749
    4    HB3  GLU   5           HB3      GLU   5 -14.681 -13.960  -1.727
    5    HG2  GLU   5           HG2      GLU   5 -13.235 -11.640  -2.975
    6    HG3  GLU   5           HG3      GLU   5 -14.384 -12.572  -3.935

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   34
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   34
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   34
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.429   1.546
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.707   1.340
    5    HG2  MET   9           HG2      MET   9 -14.279  -6.798  -0.972
    6    HG3  MET   9           HG3      MET   9 -13.803  -8.485  -0.786
    7    HE3  MET   9           HE1      MET   9 -17.415  -6.768   0.544
    8    HE2  MET   9           HE2      MET   9 -17.815  -6.517  -1.151
    9    HE1  MET   9           HE3      MET   9 -16.308  -5.884  -0.509

  No H/Q in entry =           9
  In of MODEL   34
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   34
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.957  -4.323   1.271
    4   HG12  ILE  12          HG12      ILE  12  -9.526  -6.237   0.919
    5   HG13  ILE  12          HG13      ILE  12  -9.618  -5.352  -0.591
    6   HG22  ILE  12          HG21      ILE  12  -8.649  -2.685   0.213
    7   HG21  ILE  12          HG22      ILE  12 -10.167  -2.037   0.840
    8   HG23  ILE  12          HG23      ILE  12 -10.156  -3.027  -0.626
    9   HD12  ILE  12          HD11      ILE  12  -7.327  -5.478   1.369
   10   HD11  ILE  12          HD12      ILE  12  -7.438  -4.228   0.142
   11   HD13  ILE  12          HD13      ILE  12  -7.350  -5.919  -0.330

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.235
    4   HG12  ILE  13          HG12      ILE  13 -13.493  -3.071   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.923  -3.525   3.578
    6   HG23  ILE  13          HG21      ILE  13 -13.740  -1.852   6.737
    7   HG22  ILE  13          HG22      ILE  13 -15.159  -1.868   5.689
    8   HG21  ILE  13          HG23      ILE  13 -13.895  -0.661   5.445
    9   HD13  ILE  13          HD11      ILE  13 -15.796  -1.371   3.546
   10   HD12  ILE  13          HD12      ILE  13 -14.938  -1.384   2.011
   11   HD11  ILE  13          HD13      ILE  13 -14.205  -0.623   3.421

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   34
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   34
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   34
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   34
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   34
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   34
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   34
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   34
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   34
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   34
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   34
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   34
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   34
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   34
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   34
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   34
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   34
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.939  -6.671  10.557
    4    HB3  HIS  52           HB3      HIS  52  -1.116  -7.740  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.212 -10.068  11.805
    6    HD2  HIS  52           HD2      HIS  52   1.294  -7.212   8.968
    7    HE1  HIS  52           HE1      HIS  52   2.430 -10.822  10.840
    8    HE2  HIS  52           HE2      HIS  52   3.104  -9.090   9.110

  No H/Q in entry =           8
  In of MODEL   34
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   34
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   34
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   34
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.218  10.983
    4    HG1  THR  56           HG1      THR  56  -0.687 -12.152  10.975
    5   HG22  THR  56          HG21      THR  56   1.854 -14.281  10.511
    6   HG21  THR  56          HG22      THR  56   0.938 -15.690   9.981
    7   HG23  THR  56          HG23      THR  56   0.875 -15.183  11.667

  No H/Q in entry =           7
  In of MODEL   34
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   34
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.300 -14.625   4.865
    4   HG12  ILE  59          HG12      ILE  59   2.416 -16.308   3.512
    5   HG13  ILE  59          HG13      ILE  59   1.209 -15.395   2.620
    6   HG21  ILE  59          HG21      ILE  59   1.133 -16.487   6.635
    7   HG23  ILE  59          HG22      ILE  59   1.891 -14.926   6.462
    8   HG22  ILE  59          HG23      ILE  59   2.592 -16.330   5.675
    9   HD11  ILE  59          HD11      ILE  59   1.973 -13.368   4.034
   10   HD13  ILE  59          HD12      ILE  59   3.036 -13.913   2.737
   11   HD12  ILE  59          HD13      ILE  59   3.390 -14.349   4.408

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   34
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   34
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   34
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   34
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   34
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   34
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   34
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   34
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LEU  74           H        LEU  74  -4.299 -13.686  -2.340
    2    HA   LEU  74           HA       LEU  74  -3.894 -12.585   0.168
    3    HB2  LEU  74           HB2      LEU  74  -2.993 -14.731  -0.513
    4    HB3  LEU  74           HB3      LEU  74  -1.968 -13.958  -1.718
    5    HG   LEU  74           HG       LEU  74  -0.768 -12.775   0.106
    6   HD12  LEU  74          HD11      LEU  74  -1.208 -13.892   2.435
    7   HD11  LEU  74          HD12      LEU  74  -2.784 -14.289   1.752
    8   HD13  LEU  74          HD13      LEU  74  -2.283 -12.603   1.893
    9   HD22  LEU  74          HD21      LEU  74   0.618 -14.615   0.560
   10   HD21  LEU  74          HD22      LEU  74  -0.293 -15.217  -0.813
   11   HD23  LEU  74          HD23      LEU  74  -0.750 -15.696   0.817

  No H/Q in entry =          11
  In of MODEL   34
    1    H    VAL  75           H        VAL  75  -2.643 -11.601  -2.919
    2    HA   VAL  75           HA       VAL  75  -0.694  -9.769  -1.887
    3    HB   VAL  75           HB       VAL  75  -1.990  -9.891  -4.629
    4   HG11  VAL  75          HG11      VAL  75   0.200  -8.260  -3.429
    5   HG13  VAL  75          HG12      VAL  75  -0.958  -7.833  -4.687
    6   HG12  VAL  75          HG13      VAL  75   0.434  -8.841  -5.076
    7   HG21  VAL  75          HG21      VAL  75  -0.819 -11.997  -3.949
    8   HG23  VAL  75          HG22      VAL  75   0.646 -11.059  -3.661
    9   HG22  VAL  75          HG23      VAL  75  -0.015 -11.181  -5.290

  No H/Q in entry =           9
  In of MODEL   34
    1    H    HIS  76           H        HIS  76  -4.299  -9.356  -3.226
    2    HA   HIS  76           HA       HIS  76  -4.625  -6.584  -3.124
    3    HB2  HIS  76           HB2      HIS  76  -6.358  -8.117  -4.029
    4    HB3  HIS  76           HB3      HIS  76  -6.716  -8.665  -2.397
    5    HD1  HIS  76           HD1      HIS  76  -6.019  -5.065  -2.402
    6    HD2  HIS  76           HD2      HIS  76  -9.397  -7.429  -3.117
    7    HE1  HIS  76           HE1      HIS  76  -8.035  -3.517  -2.256

  No H/Q in entry =           7
  In of MODEL   34
    1    H    ALA  77           H        ALA  77  -4.676  -8.969  -0.569
    2    HA   ALA  77           HA       ALA  77  -5.509  -7.073   1.466
    3    HB2  ALA  77           HB1      ALA  77  -4.780  -9.070   2.980
    4    HB1  ALA  77           HB2      ALA  77  -4.698  -9.965   1.463
    5    HB3  ALA  77           HB3      ALA  77  -6.221  -9.240   1.976

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLN  78           H        GLN  78  -2.480  -8.756   0.555
    2    HA   GLN  78           HA       GLN  78  -0.911  -7.686   2.646
    3    HB2  GLN  78           HB2      GLN  78  -0.357  -9.637   1.087
    4    HB3  GLN  78           HB3      GLN  78   0.118  -8.421  -0.097
    5    HG2  GLN  78           HG2      GLN  78   1.713  -7.475   1.545
    6    HG3  GLN  78           HG3      GLN  78   1.272  -8.742   2.687
    7   HE21  GLN  78          HE21      GLN  78   3.959  -8.538   1.783
    8   HE22  GLN  78          HE22      GLN  78   4.302  -9.868   0.786

  No H/Q in entry =           8
  In of MODEL   34
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   34
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.201   1.169
    4    HB3  HIS  80           HB3      HIS  80  -5.388  -2.809   2.204
    5    HD1  HIS  80           HD1      HIS  80  -6.503  -0.803   1.156
    6    HD2  HIS  80           HD2      HIS  80  -5.254  -3.585  -1.687
    7    HE1  HIS  80           HE1      HIS  80  -7.437  -0.021  -1.072
    8    HE2  HIS  80           HE2      HIS  80  -6.682  -1.712  -2.814

  No H/Q in entry =           8
  In of MODEL   34
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   34
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   34
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   34
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   34
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   34
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   34
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   34
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   34
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   34
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   34
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.409 -20.424  -4.400
    4    HB3  GLU   5           HB3      GLU   5  11.852 -20.887  -3.493
    5    HG2  GLU   5           HG2      GLU   5   9.772 -19.142  -2.208
    6    HG3  GLU   5           HG3      GLU   5   9.528 -20.886  -2.279

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   34
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   34
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   34
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.037 -16.706   0.857
    4    HB3  MET   9           HB3      MET   9  13.729 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.342 -16.595   2.246
    6    HG3  MET   9           HG3      MET   9  11.580 -17.035   0.555
    7    HE3  MET   9           HE1      MET   9  13.990 -18.295   3.762
    8    HE2  MET   9           HE2      MET   9  12.601 -19.189   4.375
    9    HE1  MET   9           HE3      MET   9  12.460 -17.462   4.055

  No H/Q in entry =           9
  In of MODEL   34
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   34
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.945   2.334
    4   HG12  ILE  12          HG12      ILE  12  10.832 -11.964   0.129
    5   HG13  ILE  12          HG13      ILE  12   9.402 -11.989   1.141
    6   HG21  ILE  12          HG21      ILE  12   9.687  -9.773   3.003
    7   HG23  ILE  12          HG22      ILE  12  10.819 -10.532   4.122
    8   HG22  ILE  12          HG23      ILE  12   9.508 -11.476   3.417
    9   HD12  ILE  12          HD11      ILE  12  10.532  -9.717  -0.476
   10   HD11  ILE  12          HD12      ILE  12   9.431  -9.421   0.858
   11   HD13  ILE  12          HD13      ILE  12   8.915 -10.404  -0.506

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.814 -12.624   4.655
    5   HG13  ILE  13          HG13      ILE  13  15.292 -13.528   4.964
    6   HG23  ILE  13          HG21      ILE  13  17.393 -10.449   5.419
    7   HG22  ILE  13          HG22      ILE  13  17.039 -11.967   6.243
    8   HG21  ILE  13          HG23      ILE  13  16.125 -10.513   6.643
    9   HD13  ILE  13          HD11      ILE  13  15.240 -13.100   7.238
   10   HD12  ILE  13          HD12      ILE  13  13.511 -13.057   6.900
   11   HD11  ILE  13          HD13      ILE  13  14.421 -11.553   7.030

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   34
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   34
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   34
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   34
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   34
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   34
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   34
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   34
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   34
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   34
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   34
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   34
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   34
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   34
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   34
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   34
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   34
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.306  -1.676  -5.690
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.645
    5    HD1  HIS  52           HD1      HIS  52  17.446  -2.019  -9.296
    6    HD2  HIS  52           HD2      HIS  52  14.040  -0.945  -7.147
    7    HE1  HIS  52           HE1      HIS  52  15.781  -1.139 -10.988
    8    HE2  HIS  52           HE2      HIS  52  13.698  -0.479  -9.694

  No H/Q in entry =           8
  In of MODEL   34
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   34
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   34
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   34
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.063
    4    HG1  THR  56           HG1      THR  56  17.357  -4.102 -10.518
    5   HG22  THR  56          HG21      THR  56  16.205  -3.466 -13.597
    6   HG21  THR  56          HG22      THR  56  16.302  -5.095 -14.265
    7   HG23  THR  56          HG23      THR  56  17.775  -4.175 -13.972

  No H/Q in entry =           7
  In of MODEL   34
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   34
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.794  -7.175 -12.515
    4   HG12  ILE  59          HG12      ILE  59   9.951  -7.006 -14.907
    5   HG13  ILE  59          HG13      ILE  59   9.508  -7.827 -13.418
    6   HG21  ILE  59          HG21      ILE  59  13.320  -6.747 -14.698
    7   HG23  ILE  59          HG22      ILE  59  12.625  -5.457 -13.752
    8   HG22  ILE  59          HG23      ILE  59  11.837  -5.976 -15.233
    9   HD11  ILE  59          HD11      ILE  59  10.179  -5.629 -12.232
   10   HD13  ILE  59          HD12      ILE  59   8.656  -5.649 -13.120
   11   HD12  ILE  59          HD13      ILE  59  10.084  -4.903 -13.835

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   34
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   34
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   34
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   34
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   34
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   34
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   34
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   34
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LEU  74           H        LEU  74   7.016 -13.175  -8.612
    2    HA   LEU  74           HA       LEU  74   8.961 -11.252  -8.139
    3    HB2  LEU  74           HB2      LEU  74   8.308 -11.969 -10.362
    4    HB3  LEU  74           HB3      LEU  74   6.688 -11.320 -10.135
    5    HG   LEU  74           HG       LEU  74   7.666  -9.043  -9.934
    6   HD12  LEU  74          HD11      LEU  74  10.105  -8.955 -10.883
    7   HD11  LEU  74          HD12      LEU  74  10.195 -10.628 -10.334
    8   HD13  LEU  74          HD13      LEU  74   9.871  -9.336  -9.178
    9   HD22  LEU  74          HD21      LEU  74   7.777  -8.753 -12.262
   10   HD21  LEU  74          HD22      LEU  74   6.996 -10.320 -12.158
   11   HD23  LEU  74          HD23      LEU  74   8.721 -10.223 -12.490

  No H/Q in entry =          11
  In of MODEL   34
    1    H    VAL  75           H        VAL  75   5.490 -11.045  -7.846
    2    HA   VAL  75           HA       VAL  75   5.353  -8.242  -7.349
    3    HB   VAL  75           HB       VAL  75   3.439 -10.464  -6.571
    4   HG11  VAL  75          HG11      VAL  75   3.345  -7.482  -6.333
    5   HG13  VAL  75          HG12      VAL  75   2.702  -8.713  -5.245
    6   HG12  VAL  75          HG13      VAL  75   1.857  -8.335  -6.746
    7   HG21  VAL  75          HG21      VAL  75   3.856 -10.253  -9.022
    8   HG23  VAL  75          HG22      VAL  75   3.408  -8.550  -8.935
    9   HG22  VAL  75          HG23      VAL  75   2.209  -9.794  -8.590

  No H/Q in entry =           9
  In of MODEL   34
    1    H    HIS  76           H        HIS  76   5.549 -11.158  -5.134
    2    HA   HIS  76           HA       HIS  76   5.276  -9.851  -2.677
    3    HB2  HIS  76           HB2      HIS  76   5.391 -12.346  -3.033
    4    HB3  HIS  76           HB3      HIS  76   7.140 -12.175  -3.196
    5    HD1  HIS  76           HD1      HIS  76   5.141 -10.094  -0.778
    6    HD2  HIS  76           HD2      HIS  76   7.740 -13.354  -0.684
    7    HE1  HIS  76           HE1      HIS  76   5.716 -10.482   1.657

  No H/Q in entry =           7
  In of MODEL   34
    1    H    ALA  77           H        ALA  77   8.188 -10.430  -4.634
    2    HA   ALA  77           HA       ALA  77   9.965  -9.147  -2.803
    3    HB3  ALA  77           HB1      ALA  77  11.389  -8.975  -5.000
    4    HB2  ALA  77           HB2      ALA  77  10.129 -10.009  -5.672
    5    HB1  ALA  77           HB3      ALA  77  11.074 -10.559  -4.289

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLN  78           H        GLN  78   8.168  -8.064  -5.664
    2    HA   GLN  78           HA       GLN  78   9.295  -5.466  -5.786
    3    HB2  GLN  78           HB2      GLN  78   7.927  -6.695  -7.572
    4    HB3  GLN  78           HB3      GLN  78   6.500  -6.204  -6.660
    5    HG2  GLN  78           HG2      GLN  78   7.207  -3.841  -6.853
    6    HG3  GLN  78           HG3      GLN  78   8.597  -4.345  -7.813
    7   HE21  GLN  78          HE21      GLN  78   6.667  -2.591  -8.941
    8   HE22  GLN  78          HE22      GLN  78   5.815  -3.423 -10.152

  No H/Q in entry =           8
  In of MODEL   34
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   34
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.160  -7.455  -0.515
    4    HB3  HIS  80           HB3      HIS  80  10.042  -6.565   0.728
    5    HD1  HIS  80           HD1      HIS  80   9.274  -6.810   3.119
    6    HD2  HIS  80           HD2      HIS  80   6.586  -8.490   0.410
    7    HE1  HIS  80           HE1      HIS  80   7.538  -8.048   4.501
    8    HE2  HIS  80           HE2      HIS  80   5.894  -9.076   2.859

  No H/Q in entry =           8
  In of MODEL   34
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   34
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   34
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   34
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   34
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   34
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   34
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   34
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   34
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   34
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   34
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.113  -6.384 -21.723
    4    HB3  GLU   5           HB3      GLU   5   0.410  -5.155 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.182  -5.286 -20.531
    6    HG3  GLU   5           HG3      GLU   5   2.447  -6.406 -21.864

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   34
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   34
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   34
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.435 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.217  -0.958 -19.649
    6    HG3  MET   9           HG3      MET   9   3.653  -1.706 -19.973
    7    HE3  MET   9           HE1      MET   9   5.749   0.799 -22.617
    8    HE2  MET   9           HE2      MET   9   6.992  -0.445 -22.717
    9    HE1  MET   9           HE3      MET   9   6.519   0.194 -21.144

  No H/Q in entry =           9
  In of MODEL   34
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   34
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.494   1.698 -15.884
    4   HG12  ILE  12          HG12      ILE  12   2.863   0.116 -15.233
    5   HG13  ILE  12          HG13      ILE  12   4.360  -0.541 -14.606
    6   HG21  ILE  12          HG21      ILE  12   5.606   1.590 -13.071
    7   HG23  ILE  12          HG22      ILE  12   6.262   2.514 -14.422
    8   HG22  ILE  12          HG23      ILE  12   6.290   0.753 -14.463
    9   HD12  ILE  12          HD11      ILE  12   2.112   0.787 -13.113
   10   HD11  ILE  12          HD12      ILE  12   3.719   0.667 -12.417
   11   HD13  ILE  12          HD13      ILE  12   2.837  -0.791 -12.852

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.813 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.822   3.926 -17.794
    5   HG13  ILE  13          HG13      ILE  13   5.626   4.709 -19.359
    6   HG23  ILE  13          HG21      ILE  13   4.747   8.044 -17.878
    7   HG22  ILE  13          HG22      ILE  13   5.850   7.349 -19.066
    8   HG21  ILE  13          HG23      ILE  13   6.377   7.573 -17.398
    9   HD13  ILE  13          HD11      ILE  13   7.640   5.837 -19.198
   10   HD12  ILE  13          HD12      ILE  13   8.031   4.416 -18.231
   11   HD11  ILE  13          HD13      ILE  13   7.569   5.921 -17.439

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   34
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   34
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   34
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   34
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   34
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   34
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   34
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   34
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   34
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   34
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   34
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   34
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   34
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   34
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   34
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   34
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   34
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.028  -8.746
    4    HB3  HIS  52           HB3      HIS  52  -7.522   7.697  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.740   6.202  -9.278
    6    HD2  HIS  52           HD2      HIS  52  -6.580   5.100  -6.794
    7    HE1  HIS  52           HE1      HIS  52 -10.720   4.688  -7.507
    8    HE2  HIS  52           HE2      HIS  52  -8.808   4.010  -5.976

  No H/Q in entry =           8
  In of MODEL   34
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   34
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   34
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   34
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.901   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.521   4.564 -10.841
    5   HG22  THR  56          HG21      THR  56 -12.949   2.780  -9.432
    6   HG21  THR  56          HG22      THR  56 -13.307   1.678 -10.761
    7   HG23  THR  56          HG23      THR  56 -13.809   3.364 -10.856

  No H/Q in entry =           7
  In of MODEL   34
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   34
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.638  -2.001 -10.396
    4   HG12  ILE  59          HG12      ILE  59 -11.013  -4.298  -9.001
    5   HG13  ILE  59          HG13      ILE  59  -9.414  -4.461  -9.708
    6   HG21  ILE  59          HG21      ILE  59 -12.581  -2.393 -10.109
    7   HG23  ILE  59          HG22      ILE  59 -11.660  -0.912 -10.126
    8   HG22  ILE  59          HG23      ILE  59 -11.670  -1.918  -8.687
    9   HD11  ILE  59          HD11      ILE  59  -8.897  -2.267  -8.356
   10   HD13  ILE  59          HD12      ILE  59  -8.876  -3.827  -7.537
   11   HD12  ILE  59          HD13      ILE  59 -10.283  -2.775  -7.391

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   34
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   34
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   34
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   34
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   34
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   34
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   34
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   34
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LEU  74           H        LEU  74  -3.312  -7.007 -13.429
    2    HA   LEU  74           HA       LEU  74  -3.946  -4.375 -12.841
    3    HB2  LEU  74           HB2      LEU  74  -5.586  -6.168 -12.884
    4    HB3  LEU  74           HB3      LEU  74  -4.808  -6.963 -11.521
    5    HG   LEU  74           HG       LEU  74  -5.347  -4.990 -10.106
    6   HD12  LEU  74          HD11      LEU  74  -7.217  -3.511 -11.194
    7   HD11  LEU  74          HD12      LEU  74  -6.518  -4.056 -12.718
    8   HD13  LEU  74          HD13      LEU  74  -5.530  -3.160 -11.565
    9   HD22  LEU  74          HD21      LEU  74  -7.530  -5.742  -9.678
   10   HD21  LEU  74          HD22      LEU  74  -6.903  -7.077 -10.630
   11   HD23  LEU  74          HD23      LEU  74  -7.922  -5.862 -11.392

  No H/Q in entry =          11
  In of MODEL   34
    1    H    VAL  75           H        VAL  75  -2.302  -6.756 -10.896
    2    HA   VAL  75           HA       VAL  75  -2.184  -5.224  -8.495
    3    HB   VAL  75           HB       VAL  75  -0.393  -7.475  -9.445
    4   HG11  VAL  75          HG11      VAL  75  -0.592  -5.911  -6.899
    5   HG13  VAL  75          HG12      VAL  75   0.836  -6.568  -7.699
    6   HG12  VAL  75          HG13      VAL  75  -0.238  -7.635  -6.795
    7   HG21  VAL  75          HG21      VAL  75  -2.815  -8.070  -9.253
    8   HG23  VAL  75          HG22      VAL  75  -2.801  -7.499  -7.584
    9   HG22  VAL  75          HG23      VAL  75  -1.829  -8.894  -8.046

  No H/Q in entry =           9
  In of MODEL   34
    1    H    HIS  76           H        HIS  76   0.138  -5.645 -11.295
    2    HA   HIS  76           HA       HIS  76   2.285  -4.165 -10.292
    3    HB2  HIS  76           HB2      HIS  76   2.262  -5.487 -12.438
    4    HB3  HIS  76           HB3      HIS  76   1.380  -4.150 -13.176
    5    HD1  HIS  76           HD1      HIS  76   4.061  -3.542 -10.617
    6    HD2  HIS  76           HD2      HIS  76   3.595  -3.301 -14.752
    7    HE1  HIS  76           HE1      HIS  76   6.087  -2.303 -11.495

  No H/Q in entry =           7
  In of MODEL   34
    1    H    ALA  77           H        ALA  77  -0.585  -3.074 -12.081
    2    HA   ALA  77           HA       ALA  77   0.165  -0.317 -12.088
    3    HB2  ALA  77           HB1      ALA  77  -2.423  -0.083 -12.458
    4    HB3  ALA  77           HB2      ALA  77  -2.369  -1.838 -12.617
    5    HB1  ALA  77           HB3      ALA  77  -1.431  -0.825 -13.713

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLN  78           H        GLN  78  -1.833  -2.326  -9.954
    2    HA   GLN  78           HA       GLN  78  -2.772  -0.211  -8.314
    3    HB2  GLN  78           HB2      GLN  78  -3.652  -2.613  -8.476
    4    HB3  GLN  78           HB3      GLN  78  -2.321  -3.056  -7.407
    5    HG2  GLN  78           HG2      GLN  78  -3.120  -1.396  -5.754
    6    HG3  GLN  78           HG3      GLN  78  -4.480  -1.017  -6.810
    7   HE21  GLN  78          HE21      GLN  78  -4.955  -2.045  -4.201
    8   HE22  GLN  78          HE22      GLN  78  -5.583  -3.616  -4.341

  No H/Q in entry =           8
  In of MODEL   34
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   34
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.322   0.883 -10.473
    4    HB3  HIS  80           HB3      HIS  80   2.957   2.518 -10.294
    5    HD1  HIS  80           HD1      HIS  80   5.459   2.821 -10.349
    6    HD2  HIS  80           HD2      HIS  80   4.356  -1.191 -10.109
    7    HE1  HIS  80           HE1      HIS  80   7.590   1.470 -10.642
    8    HE2  HIS  80           HE2      HIS  80   6.929  -0.979 -10.499

  No H/Q in entry =           8
  In of MODEL   34
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   34
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   34
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   34
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   34
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   34
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   34
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   34
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   34
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   34
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   34
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   34
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   34
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   34
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   34
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   34
    1    H    PHE   9           H        PHE   9 -21.274   0.636  -3.906
    2    HA   PHE   9           HA       PHE   9 -18.516   1.522  -4.554
    3    HB2  PHE   9           HB2      PHE   9 -20.316   2.433  -2.302
    4    HB3  PHE   9           HB3      PHE   9 -18.608   2.846  -2.446
    5    HD1  PHE   9           HD1      PHE   9 -21.975   3.457  -3.702
    6    HD2  PHE   9           HD2      PHE   9 -17.801   4.218  -4.363
    7    HE1  PHE   9           HE1      PHE   9 -22.558   5.311  -5.240
    8    HE2  PHE   9           HE2      PHE   9 -18.384   6.071  -5.906
    9    HZ   PHE   9           HZ       PHE   9 -20.763   6.618  -6.344

  No H/Q in entry =           9
  In of MODEL   34
    1    H    CYS  10           H        CYS  10 -16.899   0.896  -3.257
    2    HA   CYS  10           HA       CYS  10 -17.158  -0.800  -0.938
    3    HB2  CYS  10           HB2      CYS  10 -16.092  -2.741  -1.750
    4    HB3  CYS  10           HB3      CYS  10 -17.220  -2.324  -3.044

  No H/Q in entry =           4
  In of MODEL   34
    1    H    SER  11           H        SER  11 -14.431  -1.482  -0.419
    2    HA   SER  11           HA       SER  11 -13.449   1.122  -0.005
    3    HB2  SER  11           HB2      SER  11 -12.545  -0.483   1.444
    4    HB3  SER  11           HB3      SER  11 -12.136  -1.576   0.139
    5    HG   SER  11           HG       SER  11 -10.839   0.715   1.048

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA  12           H        ALA  12 -12.173  -1.351  -2.364
    2    HA   ALA  12           HA       ALA  12 -10.783   0.893  -3.666
    3    HB2  ALA  12           HB1      ALA  12  -9.915  -1.543  -4.773
    4    HB1  ALA  12           HB2      ALA  12 -10.061  -1.833  -3.041
    5    HB3  ALA  12           HB3      ALA  12  -9.041  -0.522  -3.632

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLY  13           H        GLY  13 -12.850  -1.906  -4.331
    2    HA3  GLY  13           HA2      GLY  13 -14.677  -1.509  -5.946
    3    HA2  GLY  13           HA3      GLY  13 -13.475  -0.727  -6.966

  No H/Q in entry =           3
  In of MODEL   34
    1    H    MET  14           H        MET  14 -12.707  -3.711  -5.205
    2    HA   MET  14           HA       MET  14 -12.527  -5.023  -7.841
    3    HB2  MET  14           HB2      MET  14 -10.452  -4.759  -6.406
    4    HB3  MET  14           HB3      MET  14 -11.174  -5.934  -5.306
    5    HG2  MET  14           HG2      MET  14 -11.368  -7.543  -7.190
    6    HG3  MET  14           HG3      MET  14 -10.579  -6.376  -8.249
    7    HE3  MET  14           HE1      MET  14  -9.117  -9.402  -7.839
    8    HE2  MET  14           HE2      MET  14  -7.627  -8.526  -8.178
    9    HE1  MET  14           HE3      MET  14  -9.129  -8.027  -8.950

  No H/Q in entry =           9
  In of MODEL   34
    1    H    SER  15           H        SER  15 -12.851  -6.324  -4.568
    2    HA   SER  15           HA       SER  15 -14.104  -8.668  -5.186
    3    HB2  SER  15           HB2      SER  15 -15.119  -7.126  -2.830
    4    HB3  SER  15           HB3      SER  15 -14.764  -8.848  -2.973
    5    HG   SER  15           HG       SER  15 -13.094  -6.701  -2.462

  No H/Q in entry =           5
  In of MODEL   34
    1    H    THR  16           H        THR  16 -15.523  -5.474  -5.456
    2    HA   THR  16           HA       THR  16 -18.208  -6.683  -5.639
    3    HB   THR  16           HB       THR  16 -17.451  -3.767  -5.948
    4    HG1  THR  16           HG1      THR  16 -17.043  -5.043  -3.853
    5   HG21  THR  16          HG21      THR  16 -20.017  -5.308  -5.626
    6   HG23  THR  16          HG22      THR  16 -19.618  -4.053  -6.800
    7   HG22  THR  16          HG23      THR  16 -19.913  -3.622  -5.115

  No H/Q in entry =           7
  In of MODEL   34
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   34
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   34
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   34
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   34
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   34
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   34
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   34
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   34
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   34
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   34
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   34
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   34
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   34
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   34
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   34
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   34
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   34
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   34
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   34
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   34
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   34
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   34
    1    HA   PRO  58           HA       PRO  58 -23.312  -4.437   3.147
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.794  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.018  -5.615  -0.007
    7    HD3  PRO  58           HD3      PRO  58 -22.793  -5.740  -0.008

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   34
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   34
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   34
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   34
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   34
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   34
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   34
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   34
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   34
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   34
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   34
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   34
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   34
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   34
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   34
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   34
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   34
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   34
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   34
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   34
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   34
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   34
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   34
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   34
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   34
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   34
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   34
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   34
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   34
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   34
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   34
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   35
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.288 -14.283  -2.729
    4    HB3  GLU   5           HB3      GLU   5 -14.695 -13.928  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.572 -11.558  -2.352
    6    HG3  GLU   5           HG3      GLU   5 -13.135 -11.876  -3.324

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   35
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   35
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   35
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.429   1.546
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.707   1.340
    5    HG2  MET   9           HG2      MET   9 -14.283  -6.795  -0.972
    6    HG3  MET   9           HG3      MET   9 -13.800  -8.481  -0.787
    7    HE2  MET   9           HE1      MET   9 -17.844  -6.549  -1.156
    8    HE1  MET   9           HE2      MET   9 -16.321  -5.884  -0.576
    9    HE3  MET   9           HE3      MET   9 -17.378  -6.738   0.537

  No H/Q in entry =           9
  In of MODEL   35
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   35
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.945  -4.379   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.256  -6.176   0.970
    5   HG13  ILE  12          HG13      ILE  12  -9.701  -5.425  -0.550
    6   HG23  ILE  12          HG21      ILE  12 -10.257  -2.972  -0.592
    7   HG22  ILE  12          HG22      ILE  12  -8.734  -2.606   0.221
    8   HG21  ILE  12          HG23      ILE  12 -10.268  -2.063   0.913
    9   HD13  ILE  12          HD11      ILE  12  -7.314  -5.678  -0.562
   10   HD12  ILE  12          HD12      ILE  12  -7.180  -5.032   1.064
   11   HD11  ILE  12          HD13      ILE  12  -7.642  -3.979  -0.266

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.602   5.242
    4   HG12  ILE  13          HG12      ILE  13 -13.495  -3.121   2.677
    5   HG13  ILE  13          HG13      ILE  13 -14.943  -3.507   3.591
    6   HG23  ILE  13          HG21      ILE  13 -13.750  -1.843   6.732
    7   HG22  ILE  13          HG22      ILE  13 -15.163  -1.861   5.676
    8   HG21  ILE  13          HG23      ILE  13 -13.896  -0.657   5.434
    9   HD11  ILE  13          HD11      ILE  13 -14.191  -0.629   3.443
   10   HD13  ILE  13          HD12      ILE  13 -15.784  -1.374   3.424
   11   HD12  ILE  13          HD13      ILE  13 -14.798  -1.371   1.965

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   35
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   35
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   35
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   35
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   35
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   35
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   35
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   35
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   35
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   35
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   35
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   35
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   35
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   35
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   35
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   35
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   35
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.959  -6.663  10.583
    4    HB3  HIS  52           HB3      HIS  52  -1.098  -7.770  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.203 -10.133  11.634
    6    HD2  HIS  52           HD2      HIS  52   1.314  -7.068   9.036
    7    HE1  HIS  52           HE1      HIS  52   2.432 -10.811  10.639
    8    HE2  HIS  52           HE2      HIS  52   3.124  -8.951   9.053

  No H/Q in entry =           8
  In of MODEL   35
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   35
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   35
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   35
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.218  10.983
    4    HG1  THR  56           HG1      THR  56  -0.329 -12.054   9.876
    5   HG21  THR  56          HG21      THR  56   0.953 -15.687   9.978
    6   HG23  THR  56          HG22      THR  56   0.879 -15.188  11.667
    7   HG22  THR  56          HG23      THR  56   1.845 -14.265  10.517

  No H/Q in entry =           7
  In of MODEL   35
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   35
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.635   4.917
    4   HG12  ILE  59          HG12      ILE  59   2.370 -16.253   3.423
    5   HG13  ILE  59          HG13      ILE  59   1.128 -15.310   2.615
    6   HG22  ILE  59          HG21      ILE  59   2.292 -16.762   5.707
    7   HG21  ILE  59          HG22      ILE  59   1.102 -16.085   6.787
    8   HG23  ILE  59          HG23      ILE  59   2.369 -15.061   6.131
    9   HD12  ILE  59          HD11      ILE  59   3.358 -14.321   4.383
   10   HD11  ILE  59          HD12      ILE  59   1.936 -13.331   4.053
   11   HD13  ILE  59          HD13      ILE  59   2.981 -13.843   2.728

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   35
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   35
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   35
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   35
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   35
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   35
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   35
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   35
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LEU  74           H        LEU  74  -4.288 -13.681  -2.351
    2    HA   LEU  74           HA       LEU  74  -3.889 -12.583   0.161
    3    HB2  LEU  74           HB2      LEU  74  -2.979 -14.722  -0.492
    4    HB3  LEU  74           HB3      LEU  74  -1.983 -13.970  -1.733
    5    HG   LEU  74           HG       LEU  74  -0.725 -12.770   0.023
    6   HD11  LEU  74          HD11      LEU  74  -2.720 -14.191   1.774
    7   HD13  LEU  74          HD12      LEU  74  -2.219 -12.501   1.819
    8   HD12  LEU  74          HD13      LEU  74  -1.132 -13.759   2.409
    9   HD22  LEU  74          HD21      LEU  74   0.640 -14.612   0.505
   10   HD21  LEU  74          HD22      LEU  74  -0.330 -15.267  -0.802
   11   HD23  LEU  74          HD23      LEU  74  -0.736 -15.652   0.867

  No H/Q in entry =          11
  In of MODEL   35
    1    H    VAL  75           H        VAL  75  -2.650 -11.589  -2.928
    2    HA   VAL  75           HA       VAL  75  -0.698  -9.761  -1.890
    3    HB   VAL  75           HB       VAL  75  -1.984  -9.869  -4.637
    4   HG13  VAL  75          HG11      VAL  75  -0.927  -7.824  -4.674
    5   HG12  VAL  75          HG12      VAL  75   0.450  -8.848  -5.078
    6   HG11  VAL  75          HG13      VAL  75   0.231  -8.278  -3.425
    7   HG21  VAL  75          HG21      VAL  75  -0.856 -11.996  -3.985
    8   HG23  VAL  75          HG22      VAL  75   0.618 -11.091  -3.642
    9   HG22  VAL  75          HG23      VAL  75  -0.003 -11.171  -5.290

  No H/Q in entry =           9
  In of MODEL   35
    1    H    HIS  76           H        HIS  76  -4.293  -9.338  -3.256
    2    HA   HIS  76           HA       HIS  76  -4.620  -6.569  -3.153
    3    HB2  HIS  76           HB2      HIS  76  -6.347  -8.131  -4.050
    4    HB3  HIS  76           HB3      HIS  76  -6.725  -8.628  -2.407
    5    HD1  HIS  76           HD1      HIS  76  -5.987  -5.004  -2.749
    6    HD2  HIS  76           HD2      HIS  76  -9.396  -7.423  -2.948
    7    HE1  HIS  76           HE1      HIS  76  -7.995  -3.445  -2.604

  No H/Q in entry =           7
  In of MODEL   35
    1    H    ALA  77           H        ALA  77  -4.693  -8.954  -0.592
    2    HA   ALA  77           HA       ALA  77  -5.520  -7.055   1.440
    3    HB3  ALA  77           HB1      ALA  77  -6.238  -9.217   1.944
    4    HB2  ALA  77           HB2      ALA  77  -4.805  -9.050   2.958
    5    HB1  ALA  77           HB3      ALA  77  -4.713  -9.952   1.446

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLN  78           H        GLN  78  -2.485  -8.757   0.554
    2    HA   GLN  78           HA       GLN  78  -0.934  -7.678   2.650
    3    HB2  GLN  78           HB2      GLN  78  -0.363  -9.635   1.114
    4    HB3  GLN  78           HB3      GLN  78   0.110  -8.431  -0.084
    5    HG2  GLN  78           HG2      GLN  78   1.702  -7.463   1.546
    6    HG3  GLN  78           HG3      GLN  78   1.259  -8.711   2.707
    7   HE21  GLN  78          HE21      GLN  78   3.947  -8.537   1.826
    8   HE22  GLN  78          HE22      GLN  78   4.293  -9.877   0.844

  No H/Q in entry =           8
  In of MODEL   35
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   35
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.187
    4    HB3  HIS  80           HB3      HIS  80  -5.392  -2.794   2.197
    5    HD1  HIS  80           HD1      HIS  80  -6.714  -0.959   1.147
    6    HD2  HIS  80           HD2      HIS  80  -5.032  -3.482  -1.715
    7    HE1  HIS  80           HE1      HIS  80  -7.586  -0.173  -1.105
    8    HE2  HIS  80           HE2      HIS  80  -6.567  -1.706  -2.859

  No H/Q in entry =           8
  In of MODEL   35
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   35
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   35
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   35
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   35
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   35
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   35
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   35
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   35
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   35
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   35
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.423 -20.432  -4.409
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.475
    5    HG2  GLU   5           HG2      GLU   5  10.898 -19.843  -1.471
    6    HG3  GLU   5           HG3      GLU   5   9.484 -19.333  -2.391

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   35
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   35
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   35
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.039 -16.706   0.859
    4    HB3  MET   9           HB3      MET   9  13.727 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.340 -16.597   2.242
    6    HG3  MET   9           HG3      MET   9  11.583 -17.036   0.551
    7    HE2  MET   9           HE1      MET   9  12.612 -19.215   4.367
    8    HE1  MET   9           HE2      MET   9  12.403 -17.490   4.073
    9    HE3  MET   9           HE3      MET   9  13.965 -18.247   3.769

  No H/Q in entry =           9
  In of MODEL   35
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   35
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.314
    4   HG12  ILE  12          HG12      ILE  12  10.856 -11.572  -0.012
    5   HG13  ILE  12          HG13      ILE  12   9.637 -12.257   1.044
    6   HG22  ILE  12          HG21      ILE  12   9.513 -11.476   3.425
    7   HG21  ILE  12          HG22      ILE  12   9.727  -9.764   3.057
    8   HG23  ILE  12          HG23      ILE  12  10.857 -10.583   4.134
    9   HD13  ILE  12          HD11      ILE  12   8.553 -10.542  -0.209
   10   HD12  ILE  12          HD12      ILE  12   9.882  -9.424   0.038
   11   HD11  ILE  12          HD13      ILE  12   8.839  -9.860   1.384

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.109 -11.630   3.847
    4   HG12  ILE  13          HG12      ILE  13  13.848 -12.665   4.589
    5   HG13  ILE  13          HG13      ILE  13  15.322 -13.526   5.018
    6   HG23  ILE  13          HG21      ILE  13  17.396 -10.462   5.431
    7   HG22  ILE  13          HG22      ILE  13  17.020 -11.972   6.259
    8   HG21  ILE  13          HG23      ILE  13  16.116 -10.507   6.643
    9   HD11  ILE  13          HD11      ILE  13  14.433 -11.517   7.003
   10   HD13  ILE  13          HD12      ILE  13  15.038 -13.154   7.250
   11   HD12  ILE  13          HD13      ILE  13  13.353 -12.896   6.800

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   35
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   35
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   35
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   35
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   35
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   35
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   35
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   35
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   35
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   35
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   35
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   35
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   35
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   35
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   35
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   35
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   35
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.337  -1.676  -5.675
    4    HB3  HIS  52           HB3      HIS  52  17.783  -1.773  -6.679
    5    HD1  HIS  52           HD1      HIS  52  17.305  -2.133  -9.329
    6    HD2  HIS  52           HD2      HIS  52  14.074  -0.824  -7.043
    7    HE1  HIS  52           HE1      HIS  52  15.598  -1.219 -10.960
    8    HE2  HIS  52           HE2      HIS  52  13.622  -0.415  -9.583

  No H/Q in entry =           8
  In of MODEL   35
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   35
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   35
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   35
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.062
    4    HG1  THR  56           HG1      THR  56  16.210  -4.243 -10.510
    5   HG21  THR  56          HG21      THR  56  16.292  -5.086 -14.270
    6   HG23  THR  56          HG22      THR  56  17.775  -4.178 -13.979
    7   HG22  THR  56          HG23      THR  56  16.214  -3.465 -13.582

  No H/Q in entry =           7
  In of MODEL   35
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   35
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.843  -7.160 -12.528
    4   HG12  ILE  59          HG12      ILE  59   9.881  -7.052 -14.828
    5   HG13  ILE  59          HG13      ILE  59   9.524  -7.845 -13.302
    6   HG22  ILE  59          HG21      ILE  59  12.045  -6.400 -15.443
    7   HG21  ILE  59          HG22      ILE  59  13.410  -6.509 -14.363
    8   HG23  ILE  59          HG23      ILE  59  12.163  -5.307 -14.076
    9   HD12  ILE  59          HD11      ILE  59  10.069  -4.925 -13.795
   10   HD11  ILE  59          HD12      ILE  59  10.207  -5.629 -12.184
   11   HD13  ILE  59          HD13      ILE  59   8.660  -5.660 -13.029

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   35
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   35
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   35
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   35
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   35
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   35
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   35
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   35
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LEU  74           H        LEU  74   7.001 -13.169  -8.616
    2    HA   LEU  74           HA       LEU  74   8.957 -11.255  -8.145
    3    HB2  LEU  74           HB2      LEU  74   8.317 -11.945 -10.370
    4    HB3  LEU  74           HB3      LEU  74   6.681 -11.341 -10.135
    5    HG   LEU  74           HG       LEU  74   7.572  -9.041  -9.945
    6   HD11  LEU  74          HD11      LEU  74  10.174 -10.521 -10.289
    7   HD13  LEU  74          HD12      LEU  74   9.763  -9.270  -9.117
    8   HD12  LEU  74          HD13      LEU  74  10.032  -8.842 -10.807
    9   HD22  LEU  74          HD21      LEU  74   7.718  -8.757 -12.267
   10   HD21  LEU  74          HD22      LEU  74   7.030 -10.368 -12.185
   11   HD23  LEU  74          HD23      LEU  74   8.755 -10.167 -12.466

  No H/Q in entry =          11
  In of MODEL   35
    1    H    VAL  75           H        VAL  75   5.488 -11.037  -7.850
    2    HA   VAL  75           HA       VAL  75   5.361  -8.238  -7.321
    3    HB   VAL  75           HB       VAL  75   3.433 -10.451  -6.554
    4   HG13  VAL  75          HG11      VAL  75   2.712  -8.681  -5.247
    5   HG12  VAL  75          HG12      VAL  75   1.862  -8.316  -6.748
    6   HG11  VAL  75          HG13      VAL  75   3.354  -7.465  -6.351
    7   HG21  VAL  75          HG21      VAL  75   3.847 -10.282  -9.000
    8   HG23  VAL  75          HG22      VAL  75   3.451  -8.566  -8.942
    9   HG22  VAL  75          HG23      VAL  75   2.212  -9.768  -8.585

  No H/Q in entry =           9
  In of MODEL   35
    1    H    HIS  76           H        HIS  76   5.565 -11.185  -5.151
    2    HA   HIS  76           HA       HIS  76   5.279  -9.929  -2.672
    3    HB2  HIS  76           HB2      HIS  76   5.501 -12.441  -3.187
    4    HB3  HIS  76           HB3      HIS  76   7.244 -12.168  -3.125
    5    HD1  HIS  76           HD1      HIS  76   8.013 -12.927  -0.877
    6    HD2  HIS  76           HD2      HIS  76   4.435 -10.801  -0.631
    7    HE1  HIS  76           HE1      HIS  76   7.471 -12.719   1.588

  No H/Q in entry =           7
  In of MODEL   35
    1    H    ALA  77           H        ALA  77   8.195 -10.435  -4.634
    2    HA   ALA  77           HA       ALA  77   9.958  -9.151  -2.786
    3    HB1  ALA  77           HB1      ALA  77  11.086 -10.547  -4.262
    4    HB3  ALA  77           HB2      ALA  77  11.390  -8.965  -4.978
    5    HB2  ALA  77           HB3      ALA  77  10.145 -10.013  -5.656

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLN  78           H        GLN  78   8.180  -8.068  -5.667
    2    HA   GLN  78           HA       GLN  78   9.302  -5.470  -5.775
    3    HB2  GLN  78           HB2      GLN  78   7.941  -6.693  -7.569
    4    HB3  GLN  78           HB3      GLN  78   6.510  -6.208  -6.660
    5    HG2  GLN  78           HG2      GLN  78   7.207  -3.844  -6.846
    6    HG3  GLN  78           HG3      GLN  78   8.608  -4.339  -7.795
    7   HE21  GLN  78          HE21      GLN  78   6.692  -2.591  -8.943
    8   HE22  GLN  78          HE22      GLN  78   5.850  -3.423 -10.160

  No H/Q in entry =           8
  In of MODEL   35
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   35
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.179  -7.447  -0.519
    4    HB3  HIS  80           HB3      HIS  80  10.034  -6.563   0.747
    5    HD1  HIS  80           HD1      HIS  80   9.373  -7.068   3.095
    6    HD2  HIS  80           HD2      HIS  80   6.449  -8.273   0.379
    7    HE1  HIS  80           HE1      HIS  80   7.587  -8.267   4.445
    8    HE2  HIS  80           HE2      HIS  80   5.798  -9.006   2.798

  No H/Q in entry =           8
  In of MODEL   35
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   35
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   35
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   35
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   35
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   35
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   35
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   35
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   35
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   35
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   35
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.104  -6.381 -21.733
    4    HB3  GLU   5           HB3      GLU   5   0.422  -5.148 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.482  -4.496 -21.787
    6    HG3  GLU   5           HG3      GLU   5   2.163  -5.687 -20.529

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   35
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   35
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   35
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.437 -21.000
    4    HB3  MET   9           HB3      MET   9   4.427   1.168 -20.551
    5    HG2  MET   9           HG2      MET   9   5.215  -0.960 -19.649
    6    HG3  MET   9           HG3      MET   9   3.650  -1.706 -19.974
    7    HE2  MET   9           HE1      MET   9   6.983  -0.451 -22.746
    8    HE1  MET   9           HE2      MET   9   6.562   0.145 -21.142
    9    HE3  MET   9           HE3      MET   9   5.757   0.810 -22.561

  No H/Q in entry =           9
  In of MODEL   35
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   35
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.477   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.668   0.276 -14.899
    5   HG13  ILE  12          HG13      ILE  12   4.216  -0.542 -14.949
    6   HG22  ILE  12          HG21      ILE  12   6.296   0.759 -14.469
    7   HG21  ILE  12          HG22      ILE  12   5.638   1.641 -13.090
    8   HG23  ILE  12          HG23      ILE  12   6.265   2.521 -14.482
    9   HD13  ILE  12          HD11      ILE  12   3.270  -1.007 -12.809
   10   HD12  ILE  12          HD12      ILE  12   2.804   0.669 -12.574
   11   HD11  ILE  12          HD13      ILE  12   4.502   0.214 -12.537

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.019   5.820 -18.055
    4   HG12  ILE  13          HG12      ILE  13   5.754   3.904 -17.840
    5   HG13  ILE  13          HG13      ILE  13   5.664   4.757 -19.379
    6   HG23  ILE  13          HG21      ILE  13   4.758   8.045 -17.891
    7   HG22  ILE  13          HG22      ILE  13   5.871   7.340 -19.063
    8   HG21  ILE  13          HG23      ILE  13   6.380   7.568 -17.390
    9   HD11  ILE  13          HD11      ILE  13   7.534   5.938 -17.412
   10   HD13  ILE  13          HD12      ILE  13   7.742   5.661 -19.140
   11   HD12  ILE  13          HD13      ILE  13   7.983   4.339 -18.000

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   35
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   35
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   35
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   35
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   35
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   35
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   35
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   35
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   35
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   35
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   35
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   35
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   35
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   35
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   35
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   35
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   35
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.057  -8.763
    4    HB3  HIS  52           HB3      HIS  52  -7.551   7.680  -9.496
    5    HD1  HIS  52           HD1      HIS  52  -9.695   6.022  -9.300
    6    HD2  HIS  52           HD2      HIS  52  -6.520   5.233  -6.718
    7    HE1  HIS  52           HE1      HIS  52 -10.609   4.520  -7.485
    8    HE2  HIS  52           HE2      HIS  52  -8.688   4.033  -5.894

  No H/Q in entry =           8
  In of MODEL   35
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   35
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   35
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   35
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.898   3.589 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.027   3.640 -10.385
    5   HG21  THR  56          HG21      THR  56 -13.312   1.676 -10.752
    6   HG23  THR  56          HG22      THR  56 -13.815   3.362 -10.861
    7   HG22  THR  56          HG23      THR  56 -12.943   2.794  -9.439

  No H/Q in entry =           7
  In of MODEL   35
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   35
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.669  -1.966 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.914  -4.346  -9.024
    5   HG13  ILE  59          HG13      ILE  59  -9.310  -4.405  -9.735
    6   HG21  ILE  59          HG21      ILE  59 -12.532  -2.658  -9.738
    7   HG23  ILE  59          HG22      ILE  59 -11.948  -1.134 -10.353
    8   HG22  ILE  59          HG23      ILE  59 -11.513  -1.646  -8.730
    9   HD12  ILE  59          HD11      ILE  59 -10.273  -2.763  -7.416
   10   HD11  ILE  59          HD12      ILE  59  -8.882  -2.231  -8.357
   11   HD13  ILE  59          HD13      ILE  59  -8.841  -3.786  -7.529

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   35
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   35
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   35
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   35
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   35
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   35
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   35
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   35
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LEU  74           H        LEU  74  -3.312  -7.001 -13.433
    2    HA   LEU  74           HA       LEU  74  -3.951  -4.376 -12.828
    3    HB2  LEU  74           HB2      LEU  74  -5.593  -6.157 -12.865
    4    HB3  LEU  74           HB3      LEU  74  -4.795  -6.980 -11.532
    5    HG   LEU  74           HG       LEU  74  -5.323  -5.067 -10.054
    6   HD11  LEU  74          HD11      LEU  74  -6.493  -4.010 -12.621
    7   HD13  LEU  74          HD12      LEU  74  -5.448  -3.188 -11.464
    8   HD12  LEU  74          HD13      LEU  74  -7.140  -3.486 -11.067
    9   HD22  LEU  74          HD21      LEU  74  -7.512  -5.802  -9.652
   10   HD21  LEU  74          HD22      LEU  74  -6.928  -7.097 -10.683
   11   HD23  LEU  74          HD23      LEU  74  -7.920  -5.815 -11.367

  No H/Q in entry =          11
  In of MODEL   35
    1    H    VAL  75           H        VAL  75  -2.299  -6.760 -10.890
    2    HA   VAL  75           HA       VAL  75  -2.173  -5.220  -8.494
    3    HB   VAL  75           HB       VAL  75  -0.379  -7.474  -9.432
    4   HG13  VAL  75          HG11      VAL  75   0.824  -6.551  -7.674
    5   HG12  VAL  75          HG12      VAL  75  -0.239  -7.642  -6.786
    6   HG11  VAL  75          HG13      VAL  75  -0.619  -5.923  -6.880
    7   HG21  VAL  75          HG21      VAL  75  -2.790  -8.091  -9.275
    8   HG23  VAL  75          HG22      VAL  75  -2.822  -7.493  -7.615
    9   HG22  VAL  75          HG23      VAL  75  -1.830  -8.890  -8.031

  No H/Q in entry =           9
  In of MODEL   35
    1    H    HIS  76           H        HIS  76   0.141  -5.658 -11.297
    2    HA   HIS  76           HA       HIS  76   2.299  -4.186 -10.305
    3    HB2  HIS  76           HB2      HIS  76   2.108  -5.520 -12.510
    4    HB3  HIS  76           HB3      HIS  76   1.463  -4.026 -13.191
    5    HD1  HIS  76           HD1      HIS  76   3.312  -2.855 -14.377
    6    HD2  HIS  76           HD2      HIS  76   4.628  -4.554 -10.806
    7    HE1  HIS  76           HE1      HIS  76   5.745  -2.199 -14.125

  No H/Q in entry =           7
  In of MODEL   35
    1    H    ALA  77           H        ALA  77  -0.574  -3.081 -12.079
    2    HA   ALA  77           HA       ALA  77   0.189  -0.326 -12.087
    3    HB1  ALA  77           HB1      ALA  77  -1.401  -0.819 -13.713
    4    HB2  ALA  77           HB2      ALA  77  -2.400  -0.084 -12.461
    5    HB3  ALA  77           HB3      ALA  77  -2.351  -1.838 -12.630

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLN  78           H        GLN  78  -1.831  -2.325  -9.960
    2    HA   GLN  78           HA       GLN  78  -2.763  -0.203  -8.328
    3    HB2  GLN  78           HB2      GLN  78  -3.659  -2.596  -8.485
    4    HB3  GLN  78           HB3      GLN  78  -2.330  -3.051  -7.419
    5    HG2  GLN  78           HG2      GLN  78  -3.113  -1.393  -5.759
    6    HG3  GLN  78           HG3      GLN  78  -4.468  -0.994  -6.812
    7   HE21  GLN  78          HE21      GLN  78  -4.973  -2.020  -4.216
    8   HE22  GLN  78          HE22      GLN  78  -5.610  -3.586  -4.359

  No H/Q in entry =           8
  In of MODEL   35
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   35
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.309   0.900 -10.476
    4    HB3  HIS  80           HB3      HIS  80   2.978   2.521 -10.290
    5    HD1  HIS  80           HD1      HIS  80   5.435   2.754 -10.614
    6    HD2  HIS  80           HD2      HIS  80   4.350  -1.198  -9.854
    7    HE1  HIS  80           HE1      HIS  80   7.552   1.369 -10.846
    8    HE2  HIS  80           HE2      HIS  80   6.902  -1.044 -10.386

  No H/Q in entry =           8
  In of MODEL   35
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   35
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   35
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   35
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   35
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   35
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   35
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   35
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   35
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   35
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   35
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   35
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   35
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   35
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   35
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   35
    1    H    PHE   9           H        PHE   9 -21.277   0.633  -3.907
    2    HA   PHE   9           HA       PHE   9 -18.520   1.527  -4.546
    3    HB2  PHE   9           HB2      PHE   9 -20.334   2.438  -2.304
    4    HB3  PHE   9           HB3      PHE   9 -18.626   2.854  -2.439
    5    HD1  PHE   9           HD1      PHE   9 -21.987   3.470  -3.700
    6    HD2  PHE   9           HD2      PHE   9 -17.811   4.211  -4.370
    7    HE1  PHE   9           HE1      PHE   9 -22.564   5.320  -5.245
    8    HE2  PHE   9           HE2      PHE   9 -18.388   6.061  -5.919
    9    HZ   PHE   9           HZ       PHE   9 -20.766   6.616  -6.356

  No H/Q in entry =           9
  In of MODEL   35
    1    H    CYS  10           H        CYS  10 -16.907   0.907  -3.239
    2    HA   CYS  10           HA       CYS  10 -17.175  -0.773  -0.912
    3    HB2  CYS  10           HB2      CYS  10 -16.107  -2.724  -1.706
    4    HB3  CYS  10           HB3      CYS  10 -17.244  -2.320  -2.996

  No H/Q in entry =           4
  In of MODEL   35
    1    H    SER  11           H        SER  11 -14.431  -1.468  -0.416
    2    HA   SER  11           HA       SER  11 -13.460   1.147  -0.010
    3    HB2  SER  11           HB2      SER  11 -12.188  -1.562   0.180
    4    HB3  SER  11           HB3      SER  11 -11.204  -0.123   0.343
    5    HG   SER  11           HG       SER  11 -11.955   0.048   2.287

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA  12           H        ALA  12 -12.180  -1.343  -2.353
    2    HA   ALA  12           HA       ALA  12 -10.795   0.898  -3.668
    3    HB2  ALA  12           HB1      ALA  12  -9.898  -1.531  -4.755
    4    HB1  ALA  12           HB2      ALA  12 -10.064  -1.827  -3.025
    5    HB3  ALA  12           HB3      ALA  12  -9.045  -0.507  -3.599

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLY  13           H        GLY  13 -12.922  -1.861  -4.270
    2    HA3  GLY  13           HA2      GLY  13 -14.723  -1.503  -5.894
    3    HA2  GLY  13           HA3      GLY  13 -13.532  -0.719  -6.923

  No H/Q in entry =           3
  In of MODEL   35
    1    H    MET  14           H        MET  14 -12.662  -3.679  -5.195
    2    HA   MET  14           HA       MET  14 -12.528  -4.994  -7.831
    3    HB2  MET  14           HB2      MET  14 -10.441  -4.741  -6.415
    4    HB3  MET  14           HB3      MET  14 -11.160  -5.909  -5.304
    5    HG2  MET  14           HG2      MET  14 -11.515  -7.322  -7.508
    6    HG3  MET  14           HG3      MET  14 -10.208  -6.311  -8.122
    7    HE2  MET  14           HE1      MET  14  -7.138  -7.143  -6.310
    8    HE1  MET  14           HE2      MET  14  -8.115  -5.879  -7.052
    9    HE3  MET  14           HE3      MET  14  -7.739  -7.341  -7.960

  No H/Q in entry =           9
  In of MODEL   35
    1    H    SER  15           H        SER  15 -12.843  -6.310  -4.558
    2    HA   SER  15           HA       SER  15 -14.092  -8.650  -5.187
    3    HB2  SER  15           HB2      SER  15 -15.122  -7.127  -2.826
    4    HB3  SER  15           HB3      SER  15 -14.747  -8.845  -2.975
    5    HG   SER  15           HG       SER  15 -12.739  -6.907  -3.326

  No H/Q in entry =           5
  In of MODEL   35
    1    H    THR  16           H        THR  16 -15.519  -5.462  -5.458
    2    HA   THR  16           HA       THR  16 -18.202  -6.677  -5.635
    3    HB   THR  16           HB       THR  16 -17.450  -3.761  -5.947
    4    HG1  THR  16           HG1      THR  16 -17.287  -5.258  -3.805
    5   HG22  THR  16          HG21      THR  16 -19.913  -3.616  -5.119
    6   HG21  THR  16          HG22      THR  16 -20.014  -5.303  -5.625
    7   HG23  THR  16          HG23      THR  16 -19.616  -4.052  -6.803

  No H/Q in entry =           7
  In of MODEL   35
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   35
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   35
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   35
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   35
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   35
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   35
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   35
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   35
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   35
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   35
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   35
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   35
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   35
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   35
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   35
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   35
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   35
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   35
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   35
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   35
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   35
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   35
    1    HA   PRO  58           HA       PRO  58 -23.312  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.051  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.561  -6.668   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   35
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   35
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   35
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   35
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   35
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   35
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   35
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   35
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   35
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   35
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   35
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   35
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   35
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   35
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   35
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   35
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   35
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   35
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   35
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   35
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   35
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   35
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   35
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   35
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   35
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   35
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   35
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   35
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   35
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   35
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   35
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   36
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.294 -14.293  -2.721
    4    HB3  GLU   5           HB3      GLU   5 -14.701 -13.915  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.539 -11.547  -2.369
    6    HG3  GLU   5           HG3      GLU   5 -13.114 -11.900  -3.345

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   36
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   36
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   36
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.706  -8.434   1.540
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.711   1.347
    5    HG2  MET   9           HG2      MET   9 -14.206  -6.804  -0.969
    6    HG3  MET   9           HG3      MET   9 -13.862  -8.523  -0.783
    7    HE2  MET   9           HE1      MET   9 -16.795  -6.031  -1.952
    8    HE1  MET   9           HE2      MET   9 -16.226  -5.786  -0.304
    9    HE3  MET   9           HE3      MET   9 -17.854  -6.383  -0.583

  No H/Q in entry =           9
  In of MODEL   36
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   36
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.960  -4.304   1.270
    4   HG12  ILE  12          HG12      ILE  12  -9.608  -6.247   0.899
    5   HG13  ILE  12          HG13      ILE  12  -9.587  -5.335  -0.598
    6   HG22  ILE  12          HG21      ILE  12 -10.067  -3.044  -0.665
    7   HG21  ILE  12          HG22      ILE  12  -8.628  -2.656   0.280
    8   HG23  ILE  12          HG23      ILE  12 -10.216  -2.072   0.793
    9   HD11  ILE  12          HD11      ILE  12  -7.379  -4.330   0.301
   10   HD13  ILE  12          HD12      ILE  12  -7.352  -5.993  -0.256
   11   HD12  ILE  12          HD13      ILE  12  -7.430  -5.643   1.465

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.495  -3.071   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.926  -3.520   3.579
    6   HG21  ILE  13          HG21      ILE  13 -13.882  -0.662   5.456
    7   HG23  ILE  13          HG22      ILE  13 -13.748  -1.864   6.741
    8   HG22  ILE  13          HG23      ILE  13 -15.159  -1.858   5.682
    9   HD11  ILE  13          HD11      ILE  13 -14.209  -0.618   3.426
   10   HD13  ILE  13          HD12      ILE  13 -15.794  -1.372   3.544
   11   HD12  ILE  13          HD13      ILE  13 -14.930  -1.378   2.009

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   36
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   36
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   36
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   36
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   36
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   36
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   36
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   36
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   36
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   36
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   36
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   36
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   36
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   36
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   36
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   36
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   36
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.942  -6.670  10.561
    4    HB3  HIS  52           HB3      HIS  52  -1.113  -7.745  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.218 -10.071  11.790
    6    HD2  HIS  52           HD2      HIS  52   1.290  -7.198   8.967
    7    HE1  HIS  52           HE1      HIS  52   2.435 -10.815  10.819
    8    HE2  HIS  52           HE2      HIS  52   3.104  -9.073   9.096

  No H/Q in entry =           8
  In of MODEL   36
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   36
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   36
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   36
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.220  10.983
    4    HG1  THR  56           HG1      THR  56   0.819 -12.368  10.016
    5   HG21  THR  56          HG21      THR  56   0.964 -15.677   9.967
    6   HG23  THR  56          HG22      THR  56   0.875 -15.198  11.661
    7   HG22  THR  56          HG23      THR  56   1.845 -14.257  10.530

  No H/Q in entry =           7
  In of MODEL   36
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   36
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.633   4.910
    4   HG12  ILE  59          HG12      ILE  59   2.359 -16.272   3.420
    5   HG13  ILE  59          HG13      ILE  59   1.139 -15.296   2.618
    6   HG21  ILE  59          HG21      ILE  59   1.115 -16.016   6.800
    7   HG23  ILE  59          HG22      ILE  59   2.388 -15.063   6.085
    8   HG22  ILE  59          HG23      ILE  59   2.282 -16.781   5.737
    9   HD13  ILE  59          HD11      ILE  59   2.982 -13.841   2.740
   10   HD12  ILE  59          HD12      ILE  59   3.411 -14.384   4.362
   11   HD11  ILE  59          HD13      ILE  59   1.995 -13.362   4.122

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   36
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   36
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   36
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   36
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   36
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   36
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   36
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   36
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LEU  74           H        LEU  74  -4.198 -13.635  -2.380
    2    HA   LEU  74           HA       LEU  74  -3.794 -12.463   0.120
    3    HB2  LEU  74           HB2      LEU  74  -2.860 -14.612  -0.543
    4    HB3  LEU  74           HB3      LEU  74  -1.863 -13.832  -1.765
    5    HG   LEU  74           HG       LEU  74  -0.683 -12.590   0.029
    6   HD13  LEU  74          HD11      LEU  74  -2.243 -12.437   1.794
    7   HD12  LEU  74          HD12      LEU  74  -1.069 -13.610   2.388
    8   HD11  LEU  74          HD13      LEU  74  -2.615 -14.159   1.740
    9   HD23  LEU  74          HD21      LEU  74  -0.606 -15.521   0.757
   10   HD22  LEU  74          HD22      LEU  74   0.726 -14.397   0.560
   11   HD21  LEU  74          HD23      LEU  74  -0.122 -15.004  -0.857

  No H/Q in entry =          11
  In of MODEL   36
    1    H    VAL  75           H        VAL  75  -2.653 -11.568  -3.029
    2    HA   VAL  75           HA       VAL  75  -0.697  -9.662  -2.212
    3    HB   VAL  75           HB       VAL  75  -2.228 -10.044  -4.797
    4   HG12  VAL  75          HG11      VAL  75  -0.536  -8.475  -5.774
    5   HG11  VAL  75          HG12      VAL  75  -0.003  -8.093  -4.138
    6   HG13  VAL  75          HG13      VAL  75  -1.642  -7.693  -4.647
    7   HG22  VAL  75          HG21      VAL  75  -0.178 -11.024  -5.608
    8   HG21  VAL  75          HG22      VAL  75  -0.499 -11.763  -4.040
    9   HG23  VAL  75          HG23      VAL  75   0.709 -10.488  -4.180

  No H/Q in entry =           9
  In of MODEL   36
    1    H    HIS  76           H        HIS  76  -4.400  -9.281  -3.290
    2    HA   HIS  76           HA       HIS  76  -4.717  -6.503  -3.107
    3    HB2  HIS  76           HB2      HIS  76  -6.470  -8.056  -3.991
    4    HB3  HIS  76           HB3      HIS  76  -6.800  -8.578  -2.344
    5    HD1  HIS  76           HD1      HIS  76  -6.059  -4.998  -2.361
    6    HD2  HIS  76           HD2      HIS  76  -9.476  -7.305  -3.075
    7    HE1  HIS  76           HE1      HIS  76  -8.048  -3.417  -2.207

  No H/Q in entry =           7
  In of MODEL   36
    1    H    ALA  77           H        ALA  77  -4.699  -8.973  -0.606
    2    HA   ALA  77           HA       ALA  77  -5.501  -7.132   1.483
    3    HB2  ALA  77           HB1      ALA  77  -6.168  -9.335   1.922
    4    HB1  ALA  77           HB2      ALA  77  -4.750  -9.135   2.951
    5    HB3  ALA  77           HB3      ALA  77  -4.616 -10.011   1.426

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLN  78           H        GLN  78  -2.460  -8.781   0.533
    2    HA   GLN  78           HA       GLN  78  -0.895  -7.716   2.622
    3    HB2  GLN  78           HB2      GLN  78  -0.342  -9.646   1.024
    4    HB3  GLN  78           HB3      GLN  78   0.152  -8.403  -0.125
    5    HG2  GLN  78           HG2      GLN  78   1.726  -7.502   1.567
    6    HG3  GLN  78           HG3      GLN  78   1.271  -8.803   2.663
    7   HE21  GLN  78          HE21      GLN  78   3.153 -10.103   2.670
    8   HE22  GLN  78          HE22      GLN  78   3.854 -10.753   1.268

  No H/Q in entry =           8
  In of MODEL   36
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   36
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.201   1.167
    4    HB3  HIS  80           HB3      HIS  80  -5.387  -2.811   2.205
    5    HD1  HIS  80           HD1      HIS  80  -6.668  -0.921   1.190
    6    HD2  HIS  80           HD2      HIS  80  -5.091  -3.462  -1.715
    7    HE1  HIS  80           HE1      HIS  80  -7.562  -0.103  -1.042
    8    HE2  HIS  80           HE2      HIS  80  -6.607  -1.646  -2.822

  No H/Q in entry =           8
  In of MODEL   36
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   36
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   36
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   36
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   36
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   36
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   36
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   36
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   36
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   36
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   36
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.417 -20.428  -4.405
    4    HB3  GLU   5           HB3      GLU   5  11.852 -20.885  -3.483
    5    HG2  GLU   5           HG2      GLU   5  10.916 -19.864  -1.466
    6    HG3  GLU   5           HG3      GLU   5   9.503 -19.325  -2.372

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   36
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   36
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   36
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.032 -16.709   0.853
    4    HB3  MET   9           HB3      MET   9  13.735 -16.162   2.504
    5    HG2  MET   9           HG2      MET   9  11.324 -16.556   2.215
    6    HG3  MET   9           HG3      MET   9  11.603 -17.082   0.555
    7    HE2  MET   9           HE1      MET   9  11.344 -18.573   4.293
    8    HE1  MET   9           HE2      MET   9  12.550 -17.308   4.070
    9    HE3  MET   9           HE3      MET   9  13.066 -18.957   4.415

  No H/Q in entry =           9
  In of MODEL   36
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   36
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.684 -11.944   2.339
    4   HG12  ILE  12          HG12      ILE  12  10.787 -12.094   0.203
    5   HG13  ILE  12          HG13      ILE  12   9.333 -11.861   1.152
    6   HG22  ILE  12          HG21      ILE  12   9.490 -11.462   3.402
    7   HG21  ILE  12          HG22      ILE  12   9.702  -9.756   3.009
    8   HG23  ILE  12          HG23      ILE  12  10.816 -10.550   4.120
    9   HD11  ILE  12          HD11      ILE  12   9.547  -9.388   0.618
   10   HD13  ILE  12          HD12      ILE  12   9.191 -10.424  -0.752
   11   HD12  ILE  12          HD13      ILE  12  10.828  -9.834  -0.499

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.102 -11.636   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.814 -12.624   4.658
    5   HG13  ILE  13          HG13      ILE  13  15.293 -13.528   4.968
    6   HG21  ILE  13          HG21      ILE  13  16.134 -10.488   6.628
    7   HG23  ILE  13          HG22      ILE  13  17.408 -10.472   5.410
    8   HG22  ILE  13          HG23      ILE  13  17.020 -11.967   6.260
    9   HD11  ILE  13          HD11      ILE  13  14.425 -11.552   7.037
   10   HD13  ILE  13          HD12      ILE  13  15.241 -13.101   7.236
   11   HD12  ILE  13          HD13      ILE  13  13.510 -13.053   6.902

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   36
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   36
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   36
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   36
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   36
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   36
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   36
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   36
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   36
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   36
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   36
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   36
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   36
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   36
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   36
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   36
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   36
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.310  -1.676  -5.687
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.650
    5    HD1  HIS  52           HD1      HIS  52  17.433  -2.022  -9.299
    6    HD2  HIS  52           HD2      HIS  52  14.039  -0.940  -7.134
    7    HE1  HIS  52           HE1      HIS  52  15.760  -1.141 -10.984
    8    HE2  HIS  52           HE2      HIS  52  13.685  -0.476  -9.679

  No H/Q in entry =           8
  In of MODEL   36
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   36
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   36
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   36
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.064
    4    HG1  THR  56           HG1      THR  56  15.909  -3.480 -11.387
    5   HG21  THR  56          HG21      THR  56  16.281  -5.079 -14.267
    6   HG23  THR  56          HG22      THR  56  17.774  -4.186 -13.983
    7   HG22  THR  56          HG23      THR  56  16.222  -3.458 -13.578

  No H/Q in entry =           7
  In of MODEL   36
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   36
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.837  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.885  -7.071 -14.838
    5   HG13  ILE  59          HG13      ILE  59   9.521  -7.829 -13.295
    6   HG21  ILE  59          HG21      ILE  59  13.406  -6.458 -14.315
    7   HG23  ILE  59          HG22      ILE  59  12.111  -5.313 -14.084
    8   HG22  ILE  59          HG23      ILE  59  12.077  -6.405 -15.459
    9   HD13  ILE  59          HD11      ILE  59   8.673  -5.652 -13.028
   10   HD12  ILE  59          HD12      ILE  59  10.039  -4.925 -13.874
   11   HD11  ILE  59          HD13      ILE  59  10.253  -5.571 -12.248

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   36
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   36
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   36
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   36
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   36
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   36
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   36
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   36
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LEU  74           H        LEU  74   6.935 -13.096  -8.618
    2    HA   LEU  74           HA       LEU  74   8.865 -11.146  -8.086
    3    HB2  LEU  74           HB2      LEU  74   8.207 -11.822 -10.331
    4    HB3  LEU  74           HB3      LEU  74   6.582 -11.198 -10.073
    5    HG   LEU  74           HG       LEU  74   7.529  -8.918  -9.809
    6   HD13  LEU  74          HD11      LEU  74   9.734  -9.258  -9.039
    7   HD12  LEU  74          HD12      LEU  74   9.961  -8.726 -10.704
    8   HD11  LEU  74          HD13      LEU  74  10.093 -10.437 -10.300
    9   HD23  LEU  74          HD21      LEU  74   8.583 -10.048 -12.407
   10   HD22  LEU  74          HD22      LEU  74   7.699  -8.559 -12.129
   11   HD21  LEU  74          HD23      LEU  74   6.856 -10.101 -12.060

  No H/Q in entry =          11
  In of MODEL   36
    1    H    VAL  75           H        VAL  75   5.399 -11.099  -7.743
    2    HA   VAL  75           HA       VAL  75   5.073  -8.337  -7.176
    3    HB   VAL  75           HB       VAL  75   3.420 -10.773  -6.476
    4   HG12  VAL  75          HG11      VAL  75   1.633  -9.146  -5.851
    5   HG11  VAL  75          HG12      VAL  75   2.813  -7.842  -5.980
    6   HG13  VAL  75          HG13      VAL  75   3.015  -9.094  -4.756
    7   HG22  VAL  75          HG21      VAL  75   1.980 -10.015  -8.260
    8   HG21  VAL  75          HG22      VAL  75   3.626  -9.976  -8.890
    9   HG23  VAL  75          HG23      VAL  75   2.844  -8.482  -8.380

  No H/Q in entry =           9
  In of MODEL   36
    1    H    HIS  76           H        HIS  76   5.557 -11.240  -4.977
    2    HA   HIS  76           HA       HIS  76   5.365  -9.916  -2.516
    3    HB2  HIS  76           HB2      HIS  76   5.672 -12.464  -3.084
    4    HB3  HIS  76           HB3      HIS  76   7.387 -12.094  -2.889
    5    HD1  HIS  76           HD1      HIS  76   7.483 -10.208  -0.587
    6    HD2  HIS  76           HD2      HIS  76   4.861 -13.450  -0.627
    7    HE1  HIS  76           HE1      HIS  76   6.893 -10.683   1.830

  No H/Q in entry =           7
  In of MODEL   36
    1    H    ALA  77           H        ALA  77   8.197 -10.457  -4.599
    2    HA   ALA  77           HA       ALA  77  10.033  -9.139  -2.863
    3    HB1  ALA  77           HB1      ALA  77  11.057 -10.568  -4.400
    4    HB3  ALA  77           HB2      ALA  77  11.384  -8.977  -5.086
    5    HB2  ALA  77           HB3      ALA  77  10.091  -9.974  -5.752

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLN  78           H        GLN  78   8.148  -8.067  -5.685
    2    HA   GLN  78           HA       GLN  78   9.271  -5.469  -5.818
    3    HB2  GLN  78           HB2      GLN  78   7.865  -6.715  -7.576
    4    HB3  GLN  78           HB3      GLN  78   6.460  -6.180  -6.655
    5    HG2  GLN  78           HG2      GLN  78   7.223  -3.835  -6.887
    6    HG3  GLN  78           HG3      GLN  78   8.582  -4.387  -7.865
    7   HE21  GLN  78          HE21      GLN  78   8.013  -3.640  -9.946
    8   HE22  GLN  78          HE22      GLN  78   6.553  -4.026 -10.722

  No H/Q in entry =           8
  In of MODEL   36
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   36
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.159  -7.456  -0.515
    4    HB3  HIS  80           HB3      HIS  80  10.043  -6.566   0.726
    5    HD1  HIS  80           HD1      HIS  80   9.392  -6.989   3.100
    6    HD2  HIS  80           HD2      HIS  80   6.472  -8.309   0.433
    7    HE1  HIS  80           HE1      HIS  80   7.631  -8.177   4.492
    8    HE2  HIS  80           HE2      HIS  80   5.844  -8.987   2.876

  No H/Q in entry =           8
  In of MODEL   36
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   36
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   36
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   36
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   36
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   36
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   36
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   36
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   36
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   36
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   36
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.109  -6.383 -21.727
    4    HB3  GLU   5           HB3      GLU   5   0.415  -5.152 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.481  -4.490 -21.810
    6    HG3  GLU   5           HG3      GLU   5   2.172  -5.665 -20.535

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   36
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   36
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   36
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.884   0.426 -20.999
    4    HB3  MET   9           HB3      MET   9   4.419   1.174 -20.556
    5    HG2  MET   9           HG2      MET   9   5.195  -0.960 -19.603
    6    HG3  MET   9           HG3      MET   9   3.656  -1.712 -20.021
    7    HE2  MET   9           HE1      MET   9   7.343  -1.110 -21.535
    8    HE1  MET   9           HE2      MET   9   6.475   0.349 -21.062
    9    HE3  MET   9           HE3      MET   9   6.808   0.043 -22.765

  No H/Q in entry =           9
  In of MODEL   36
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   36
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.501   1.702 -15.883
    4   HG12  ILE  12          HG12      ILE  12   2.969   0.047 -15.332
    5   HG13  ILE  12          HG13      ILE  12   4.378  -0.522 -14.462
    6   HG22  ILE  12          HG21      ILE  12   6.281   0.738 -14.442
    7   HG21  ILE  12          HG22      ILE  12   5.602   1.603 -13.064
    8   HG23  ILE  12          HG23      ILE  12   6.265   2.500 -14.428
    9   HD11  ILE  12          HD11      ILE  12   3.444   0.658 -12.429
   10   HD13  ILE  12          HD12      ILE  12   2.486  -0.696 -13.003
   11   HD12  ILE  12          HD13      ILE  12   1.989   0.951 -13.368

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.810 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.826   3.928 -17.795
    5   HG13  ILE  13          HG13      ILE  13   5.631   4.712 -19.360
    6   HG21  ILE  13          HG21      ILE  13   6.355   7.587 -17.380
    7   HG23  ILE  13          HG22      ILE  13   4.733   8.040 -17.903
    8   HG22  ILE  13          HG23      ILE  13   5.870   7.346 -19.059
    9   HD11  ILE  13          HD11      ILE  13   7.573   5.930 -17.441
   10   HD13  ILE  13          HD12      ILE  13   7.639   5.838 -19.200
   11   HD12  ILE  13          HD13      ILE  13   8.035   4.422 -18.227

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   36
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   36
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   36
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   36
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   36
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   36
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   36
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   36
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   36
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   36
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   36
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   36
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   36
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   36
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   36
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   36
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   36
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.032  -8.748
    4    HB3  HIS  52           HB3      HIS  52  -7.526   7.695  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.738   6.190  -9.273
    6    HD2  HIS  52           HD2      HIS  52  -6.570   5.106  -6.792
    7    HE1  HIS  52           HE1      HIS  52 -10.709   4.675  -7.499
    8    HE2  HIS  52           HE2      HIS  52  -8.792   4.008  -5.969

  No H/Q in entry =           8
  In of MODEL   36
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   36
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   36
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   36
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.904   3.586 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.808   3.418  -9.491
    5   HG21  THR  56          HG21      THR  56 -13.303   1.672 -10.729
    6   HG23  THR  56          HG22      THR  56 -13.815   3.354 -10.858
    7   HG22  THR  56          HG23      THR  56 -12.936   2.808  -9.432

  No H/Q in entry =           7
  In of MODEL   36
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   36
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.662  -1.974 -10.404
    4   HG12  ILE  59          HG12      ILE  59 -10.933  -4.356  -9.043
    5   HG13  ILE  59          HG13      ILE  59  -9.311  -4.400  -9.717
    6   HG23  ILE  59          HG21      ILE  59 -11.925  -1.114 -10.333
    7   HG22  ILE  59          HG22      ILE  59 -11.488  -1.653  -8.733
    8   HG21  ILE  59          HG23      ILE  59 -12.548  -2.638  -9.728
    9   HD13  ILE  59          HD11      ILE  59  -8.885  -3.783  -7.507
   10   HD12  ILE  59          HD12      ILE  59 -10.340  -2.795  -7.405
   11   HD11  ILE  59          HD13      ILE  59  -8.946  -2.217  -8.316

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   36
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   36
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   36
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   36
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   36
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   36
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   36
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   36
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LEU  74           H        LEU  74  -3.297  -7.029 -13.317
    2    HA   LEU  74           HA       LEU  74  -3.872  -4.368 -12.703
    3    HB2  LEU  74           HB2      LEU  74  -5.536  -6.152 -12.710
    4    HB3  LEU  74           HB3      LEU  74  -4.728  -6.950 -11.366
    5    HG   LEU  74           HG       LEU  74  -5.199  -4.968  -9.944
    6   HD13  LEU  74          HD11      LEU  74  -5.360  -3.164 -11.457
    7   HD12  LEU  74          HD12      LEU  74  -7.026  -3.420 -10.944
    8   HD11  LEU  74          HD13      LEU  74  -6.483  -4.023 -12.509
    9   HD23  LEU  74          HD21      LEU  74  -7.812  -5.847 -11.185
   10   HD22  LEU  74          HD22      LEU  74  -7.412  -5.633  -9.490
   11   HD21  LEU  74          HD23      LEU  74  -6.786  -7.023 -10.367

  No H/Q in entry =          11
  In of MODEL   36
    1    H    VAL  75           H        VAL  75  -2.173  -6.811 -10.902
    2    HA   VAL  75           HA       VAL  75  -1.898  -5.415  -8.446
    3    HB   VAL  75           HB       VAL  75  -0.265  -7.622  -9.712
    4   HG12  VAL  75          HG11      VAL  75   0.791  -7.866  -7.468
    5   HG11  VAL  75          HG12      VAL  75  -0.005  -6.379  -6.955
    6   HG13  VAL  75          HG13      VAL  75   1.203  -6.335  -8.238
    7   HG22  VAL  75          HG21      VAL  75  -1.423  -9.050  -8.145
    8   HG21  VAL  75          HG22      VAL  75  -2.655  -8.044  -8.909
    9   HG23  VAL  75          HG23      VAL  75  -2.084  -7.660  -7.286

  No H/Q in entry =           9
  In of MODEL   36
    1    H    HIS  76           H        HIS  76   0.276  -5.623 -11.393
    2    HA   HIS  76           HA       HIS  76   2.405  -4.086 -10.417
    3    HB2  HIS  76           HB2      HIS  76   2.187  -5.386 -12.655
    4    HB3  HIS  76           HB3      HIS  76   1.502  -3.885 -13.277
    5    HD1  HIS  76           HD1      HIS  76   3.208  -1.801 -11.865
    6    HD2  HIS  76           HD2      HIS  76   4.815  -5.254 -13.557
    7    HE1  HIS  76           HE1      HIS  76   5.650  -1.307 -12.317

  No H/Q in entry =           7
  In of MODEL   36
    1    H    ALA  77           H        ALA  77  -0.556  -3.077 -12.106
    2    HA   ALA  77           HA       ALA  77   0.099  -0.301 -12.111
    3    HB1  ALA  77           HB1      ALA  77  -1.507  -0.898 -13.704
    4    HB2  ALA  77           HB2      ALA  77  -2.480  -0.123 -12.455
    5    HB3  ALA  77           HB3      ALA  77  -2.424  -1.882 -12.562

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLN  78           H        GLN  78  -1.839  -2.355  -9.947
    2    HA   GLN  78           HA       GLN  78  -2.786  -0.243  -8.312
    3    HB2  GLN  78           HB2      GLN  78  -3.632  -2.666  -8.468
    4    HB3  GLN  78           HB3      GLN  78  -2.309  -3.072  -7.375
    5    HG2  GLN  78           HG2      GLN  78  -3.155  -1.395  -5.760
    6    HG3  GLN  78           HG3      GLN  78  -4.510  -1.063  -6.836
    7   HE21  GLN  78          HE21      GLN  78  -6.265  -1.977  -5.694
    8   HE22  GLN  78          HE22      GLN  78  -6.320  -3.595  -5.185

  No H/Q in entry =           8
  In of MODEL   36
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   36
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.322   0.882 -10.473
    4    HB3  HIS  80           HB3      HIS  80   2.956   2.518 -10.294
    5    HD1  HIS  80           HD1      HIS  80   5.417   2.809 -10.575
    6    HD2  HIS  80           HD2      HIS  80   4.400  -1.174  -9.884
    7    HE1  HIS  80           HE1      HIS  80   7.561   1.468 -10.811
    8    HE2  HIS  80           HE2      HIS  80   6.952  -0.964 -10.392

  No H/Q in entry =           8
  In of MODEL   36
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   36
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   36
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   36
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   36
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   36
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   36
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   36
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   36
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   36
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   36
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   36
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   36
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   36
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   36
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   36
    1    H    PHE   9           H        PHE   9 -21.287   0.642  -3.908
    2    HA   PHE   9           HA       PHE   9 -18.526   1.536  -4.529
    3    HB2  PHE   9           HB2      PHE   9 -20.355   2.456  -2.305
    4    HB3  PHE   9           HB3      PHE   9 -18.647   2.874  -2.433
    5    HD1  PHE   9           HD1      PHE   9 -22.001   3.483  -3.708
    6    HD2  PHE   9           HD2      PHE   9 -17.823   4.215  -4.373
    7    HE1  PHE   9           HE1      PHE   9 -22.574   5.324  -5.266
    8    HE2  PHE   9           HE2      PHE   9 -18.395   6.056  -5.935
    9    HZ   PHE   9           HZ       PHE   9 -20.771   6.611  -6.381

  No H/Q in entry =           9
  In of MODEL   36
    1    H    CYS  10           H        CYS  10 -16.929   0.948  -3.189
    2    HA   CYS  10           HA       CYS  10 -17.188  -0.709  -0.850
    3    HB2  CYS  10           HB2      CYS  10 -16.111  -2.671  -1.621
    4    HB3  CYS  10           HB3      CYS  10 -17.279  -2.297  -2.893

  No H/Q in entry =           4
  In of MODEL   36
    1    H    SER  11           H        SER  11 -14.420  -1.427  -0.400
    2    HA   SER  11           HA       SER  11 -13.455   1.206  -0.021
    3    HB2  SER  11           HB2      SER  11 -11.186  -0.181   0.265
    4    HB3  SER  11           HB3      SER  11 -12.431  -0.181   1.495
    5    HG   SER  11           HG       SER  11 -13.031  -2.160   0.921

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA  12           H        ALA  12 -12.170  -1.345  -2.314
    2    HA   ALA  12           HA       ALA  12 -10.765   0.872  -3.649
    3    HB2  ALA  12           HB1      ALA  12  -9.851  -1.569  -4.685
    4    HB1  ALA  12           HB2      ALA  12 -10.043  -1.845  -2.955
    5    HB3  ALA  12           HB3      ALA  12  -9.017  -0.532  -3.529

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLY  13           H        GLY  13 -13.017  -1.768  -4.157
    2    HA3  GLY  13           HA2      GLY  13 -14.754  -1.512  -5.815
    3    HA2  GLY  13           HA3      GLY  13 -13.581  -0.700  -6.844

  No H/Q in entry =           3
  In of MODEL   36
    1    H    MET  14           H        MET  14 -12.666  -3.646  -5.120
    2    HA   MET  14           HA       MET  14 -12.464  -4.943  -7.757
    3    HB2  MET  14           HB2      MET  14 -10.426  -4.697  -6.275
    4    HB3  MET  14           HB3      MET  14 -11.175  -5.873  -5.194
    5    HG2  MET  14           HG2      MET  14 -11.426  -7.359  -7.290
    6    HG3  MET  14           HG3      MET  14 -10.271  -6.265  -8.048
    7    HE1  MET  14           HE1      MET  14  -9.049  -8.096  -8.603
    8    HE3  MET  14           HE2      MET  14  -7.918  -9.014  -7.614
    9    HE2  MET  14           HE3      MET  14  -7.584  -7.325  -7.983

  No H/Q in entry =           9
  In of MODEL   36
    1    H    SER  15           H        SER  15 -12.838  -6.319  -4.528
    2    HA   SER  15           HA       SER  15 -14.076  -8.650  -5.223
    3    HB2  SER  15           HB2      SER  15 -13.423  -7.859  -2.886
    4    HB3  SER  15           HB3      SER  15 -15.014  -7.102  -2.820
    5    HG   SER  15           HG       SER  15 -14.482  -9.833  -3.400

  No H/Q in entry =           5
  In of MODEL   36
    1    H    THR  16           H        THR  16 -15.510  -5.463  -5.463
    2    HA   THR  16           HA       THR  16 -18.190  -6.681  -5.632
    3    HB   THR  16           HB       THR  16 -17.441  -3.764  -5.945
    4    HG1  THR  16           HG1      THR  16 -18.242  -3.715  -3.725
    5   HG23  THR  16          HG21      THR  16 -19.609  -4.053  -6.795
    6   HG22  THR  16          HG22      THR  16 -19.904  -3.624  -5.109
    7   HG21  THR  16          HG23      THR  16 -20.004  -5.309  -5.621

  No H/Q in entry =           7
  In of MODEL   36
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   36
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   36
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   36
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   36
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   36
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   36
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   36
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   36
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   36
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   36
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   36
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   36
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   36
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   36
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   36
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   36
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   36
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   36
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   36
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   36
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   36
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   36
    1    HA   PRO  58           HA       PRO  58 -23.311  -4.437   3.147
    2    HB2  PRO  58           HB2      PRO  58 -22.055  -6.860   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.563  -6.667   2.788
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.797
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.697   1.164
    6    HD2  PRO  58           HD2      PRO  58 -21.020  -5.614  -0.010
    7    HD3  PRO  58           HD3      PRO  58 -22.794  -5.741  -0.006

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   36
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   36
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   36
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   36
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   36
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   36
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   36
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   36
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   36
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   36
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   36
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   36
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   36
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   36
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   36
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   36
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   36
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   36
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   36
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   36
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   36
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   36
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   36
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   36
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   36
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   36
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   36
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   36
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   36
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   36
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   36
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   37
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.301 -14.306  -2.711
    4    HB3  GLU   5           HB3      GLU   5 -14.707 -13.898  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.805 -12.525  -3.703
    6    HG3  GLU   5           HG3      GLU   5 -14.341 -11.479  -2.361

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   37
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   37
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   37
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.707  -8.432   1.542
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.709   1.344
    5    HG2  MET   9           HG2      MET   9 -14.254  -6.795  -0.970
    6    HG3  MET   9           HG3      MET   9 -13.823  -8.495  -0.787
    7    HE3  MET   9           HE1      MET   9 -17.421  -6.682   0.509
    8    HE2  MET   9           HE2      MET   9 -17.755  -6.405  -1.197
    9    HE1  MET   9           HE3      MET   9 -16.248  -5.831  -0.500

  No H/Q in entry =           9
  In of MODEL   37
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   37
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.937  -4.410   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.180  -6.149   0.953
    5   HG13  ILE  12          HG13      ILE  12  -9.685  -5.415  -0.556
    6   HG23  ILE  12          HG21      ILE  12 -10.307  -2.958  -0.571
    7   HG22  ILE  12          HG22      ILE  12  -8.781  -2.568   0.225
    8   HG21  ILE  12          HG23      ILE  12 -10.316  -2.068   0.946
    9   HD11  ILE  12          HD11      ILE  12  -7.651  -3.903  -0.340
   10   HD13  ILE  12          HD12      ILE  12  -7.303  -5.602  -0.608
   11   HD12  ILE  12          HD13      ILE  12  -7.160  -4.918   1.006

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.601   5.243
    4   HG12  ILE  13          HG12      ILE  13 -13.482  -3.066   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.903  -3.553   3.573
    6   HG21  ILE  13          HG21      ILE  13 -13.888  -0.657   5.437
    7   HG23  ILE  13          HG22      ILE  13 -13.758  -1.847   6.732
    8   HG22  ILE  13          HG23      ILE  13 -15.164  -1.853   5.667
    9   HD13  ILE  13          HD11      ILE  13 -15.681  -1.288   3.746
   10   HD12  ILE  13          HD12      ILE  13 -15.205  -1.519   2.068
   11   HD11  ILE  13          HD13      ILE  13 -14.141  -0.653   3.173

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   37
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   37
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   37
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   37
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   37
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   37
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   37
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   37
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   37
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   37
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   37
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   37
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   37
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   37
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   37
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   37
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   37
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.927  -6.677  10.542
    4    HB3  HIS  52           HB3      HIS  52  -1.125  -7.724  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.244  -9.997  11.933
    6    HD2  HIS  52           HD2      HIS  52   1.254  -7.326   8.897
    7    HE1  HIS  52           HE1      HIS  52   2.448 -10.801  10.977
    8    HE2  HIS  52           HE2      HIS  52   3.078  -9.181   9.125

  No H/Q in entry =           8
  In of MODEL   37
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   37
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   37
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   37
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.099 -14.210  10.983
    4    HG1  THR  56           HG1      THR  56   0.262 -12.179   9.717
    5   HG21  THR  56          HG21      THR  56   0.931 -15.705   9.993
    6   HG23  THR  56          HG22      THR  56   0.875 -15.183  11.675
    7   HG22  THR  56          HG23      THR  56   1.842 -14.286  10.506

  No H/Q in entry =           7
  In of MODEL   37
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   37
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.911
    4   HG12  ILE  59          HG12      ILE  59   2.421 -16.226   3.472
    5   HG13  ILE  59          HG13      ILE  59   1.142 -15.387   2.609
    6   HG21  ILE  59          HG21      ILE  59   1.117 -16.011   6.801
    7   HG23  ILE  59          HG22      ILE  59   2.393 -15.067   6.080
    8   HG22  ILE  59          HG23      ILE  59   2.278 -16.785   5.737
    9   HD13  ILE  59          HD11      ILE  59   2.983 -13.864   2.696
   10   HD12  ILE  59          HD12      ILE  59   3.237 -14.177   4.413
   11   HD11  ILE  59          HD13      ILE  59   1.810 -13.288   3.881

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   37
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   37
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   37
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   37
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   37
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   37
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   37
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   37
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LEU  74           H        LEU  74  -4.298 -13.680  -2.350
    2    HA   LEU  74           HA       LEU  74  -3.870 -12.591   0.160
    3    HB2  LEU  74           HB2      LEU  74  -2.967 -14.729  -0.528
    4    HB3  LEU  74           HB3      LEU  74  -1.972 -13.958  -1.758
    5    HG   LEU  74           HG       LEU  74  -0.712 -12.784   0.011
    6   HD12  LEU  74          HD11      LEU  74  -1.130 -13.816   2.381
    7   HD11  LEU  74          HD12      LEU  74  -2.725 -14.205   1.741
    8   HD13  LEU  74          HD13      LEU  74  -2.191 -12.526   1.819
    9   HD22  LEU  74          HD21      LEU  74   0.639 -14.643   0.510
   10   HD21  LEU  74          HD22      LEU  74  -0.296 -15.254  -0.844
   11   HD23  LEU  74          HD23      LEU  74  -0.751 -15.687   0.800

  No H/Q in entry =          11
  In of MODEL   37
    1    H    VAL  75           H        VAL  75  -2.667 -11.568  -2.938
    2    HA   VAL  75           HA       VAL  75  -0.710  -9.745  -1.892
    3    HB   VAL  75           HB       VAL  75  -1.999  -9.837  -4.638
    4   HG11  VAL  75          HG11      VAL  75   0.218  -8.259  -3.416
    5   HG13  VAL  75          HG12      VAL  75  -0.932  -7.796  -4.669
    6   HG12  VAL  75          HG13      VAL  75   0.442  -8.825  -5.070
    7   HG21  VAL  75          HG21      VAL  75   0.404 -11.246  -3.447
    8   HG23  VAL  75          HG22      VAL  75   0.248 -10.994  -5.185
    9   HG22  VAL  75          HG23      VAL  75  -0.955 -11.950  -4.323

  No H/Q in entry =           9
  In of MODEL   37
    1    H    HIS  76           H        HIS  76  -4.303  -9.321  -3.266
    2    HA   HIS  76           HA       HIS  76  -4.640  -6.556  -3.156
    3    HB2  HIS  76           HB2      HIS  76  -6.363  -8.142  -4.038
    4    HB3  HIS  76           HB3      HIS  76  -6.743  -8.608  -2.385
    5    HD1  HIS  76           HD1      HIS  76  -5.996  -4.991  -2.812
    6    HD2  HIS  76           HD2      HIS  76  -9.411  -7.407  -2.931
    7    HE1  HIS  76           HE1      HIS  76  -8.000  -3.425  -2.691

  No H/Q in entry =           7
  In of MODEL   37
    1    H    ALA  77           H        ALA  77  -4.705  -8.938  -0.589
    2    HA   ALA  77           HA       ALA  77  -5.517  -7.032   1.444
    3    HB3  ALA  77           HB1      ALA  77  -6.242  -9.178   1.979
    4    HB2  ALA  77           HB2      ALA  77  -4.780  -9.038   2.954
    5    HB1  ALA  77           HB3      ALA  77  -4.743  -9.936   1.437

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLN  78           H        GLN  78  -2.497  -8.764   0.564
    2    HA   GLN  78           HA       GLN  78  -0.919  -7.693   2.637
    3    HB2  GLN  78           HB2      GLN  78  -0.385  -9.637   1.048
    4    HB3  GLN  78           HB3      GLN  78   0.119  -8.404  -0.107
    5    HG2  GLN  78           HG2      GLN  78   1.711  -7.512   1.561
    6    HG3  GLN  78           HG3      GLN  78   1.232  -8.780   2.687
    7   HE21  GLN  78          HE21      GLN  78   1.006 -10.290  -0.225
    8   HE22  GLN  78          HE22      GLN  78   2.581 -10.910  -0.359

  No H/Q in entry =           8
  In of MODEL   37
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   37
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.178
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.801   2.200
    5    HD1  HIS  80           HD1      HIS  80  -6.740  -0.979   1.172
    6    HD2  HIS  80           HD2      HIS  80  -5.013  -3.436  -1.721
    7    HE1  HIS  80           HE1      HIS  80  -7.610  -0.168  -1.072
    8    HE2  HIS  80           HE2      HIS  80  -6.564  -1.661  -2.844

  No H/Q in entry =           8
  In of MODEL   37
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   37
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   37
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   37
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   37
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   37
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   37
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   37
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   37
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   37
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   37
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.451 -20.447  -4.424
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.877  -3.440
    5    HG2  GLU   5           HG2      GLU   5   9.914 -21.078  -2.030
    6    HG3  GLU   5           HG3      GLU   5  10.778 -19.626  -1.526

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   37
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   37
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   37
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.033 -16.708   0.855
    4    HB3  MET   9           HB3      MET   9  13.734 -16.162   2.505
    5    HG2  MET   9           HG2      MET   9  11.336 -16.579   2.240
    6    HG3  MET   9           HG3      MET   9  11.585 -17.051   0.559
    7    HE3  MET   9           HE1      MET   9  13.931 -18.295   3.852
    8    HE2  MET   9           HE2      MET   9  12.488 -19.121   4.433
    9    HE1  MET   9           HE3      MET   9  12.422 -17.399   4.064

  No H/Q in entry =           9
  In of MODEL   37
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   37
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.954   2.305
    4   HG12  ILE  12          HG12      ILE  12  10.840 -11.531  -0.019
    5   HG13  ILE  12          HG13      ILE  12   9.648 -12.264   1.036
    6   HG22  ILE  12          HG21      ILE  12   9.517 -11.477   3.429
    7   HG21  ILE  12          HG22      ILE  12   9.743  -9.764   3.078
    8   HG23  ILE  12          HG23      ILE  12  10.871 -10.604   4.141
    9   HD11  ILE  12          HD11      ILE  12   8.777  -9.893   1.421
   10   HD13  ILE  12          HD12      ILE  12   8.523 -10.561  -0.181
   11   HD12  ILE  12          HD13      ILE  12   9.825  -9.412   0.095

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.110 -11.629   3.848
    4   HG12  ILE  13          HG12      ILE  13  13.803 -12.608   4.660
    5   HG13  ILE  13          HG13      ILE  13  15.280 -13.530   4.922
    6   HG21  ILE  13          HG21      ILE  13  16.117 -10.500   6.638
    7   HG23  ILE  13          HG22      ILE  13  17.401 -10.472   5.431
    8   HG22  ILE  13          HG23      ILE  13  17.009 -11.975   6.268
    9   HD13  ILE  13          HD11      ILE  13  15.390 -12.880   7.223
   10   HD12  ILE  13          HD12      ILE  13  13.712 -13.331   6.932
   11   HD11  ILE  13          HD13      ILE  13  14.168 -11.629   6.997

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   37
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   37
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   37
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   37
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   37
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   37
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   37
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   37
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   37
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   37
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   37
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   37
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   37
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   37
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   37
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   37
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   37
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.289  -1.676  -5.699
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.626
    5    HD1  HIS  52           HD1      HIS  52  17.539  -1.908  -9.265
    6    HD2  HIS  52           HD2      HIS  52  14.009  -1.059  -7.216
    7    HE1  HIS  52           HE1      HIS  52  15.895  -1.060 -10.994
    8    HE2  HIS  52           HE2      HIS  52  13.737  -0.536  -9.761

  No H/Q in entry =           8
  In of MODEL   37
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   37
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   37
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   37
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.453 -12.052
    4    HG1  THR  56           HG1      THR  56  15.842  -3.932 -10.904
    5   HG21  THR  56          HG21      THR  56  16.319  -5.108 -14.276
    6   HG23  THR  56          HG22      THR  56  17.785  -4.177 -13.973
    7   HG22  THR  56          HG23      THR  56  16.210  -3.484 -13.600

  No H/Q in entry =           7
  In of MODEL   37
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   37
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.837  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.902  -6.979 -14.838
    5   HG13  ILE  59          HG13      ILE  59   9.524  -7.876 -13.376
    6   HG21  ILE  59          HG21      ILE  59  13.407  -6.453 -14.307
    7   HG23  ILE  59          HG22      ILE  59  12.104  -5.313 -14.089
    8   HG22  ILE  59          HG23      ILE  59  12.084  -6.411 -15.460
    9   HD13  ILE  59          HD11      ILE  59   8.637  -5.680 -13.047
   10   HD12  ILE  59          HD12      ILE  59  10.128  -4.928 -13.614
   11   HD11  ILE  59          HD13      ILE  59  10.099  -5.773 -12.067

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   37
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   37
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   37
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   37
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   37
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   37
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   37
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   37
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LEU  74           H        LEU  74   7.001 -13.174  -8.611
    2    HA   LEU  74           HA       LEU  74   8.951 -11.252  -8.160
    3    HB2  LEU  74           HB2      LEU  74   8.284 -11.952 -10.378
    4    HB3  LEU  74           HB3      LEU  74   6.654 -11.337 -10.128
    5    HG   LEU  74           HG       LEU  74   7.560  -9.043  -9.957
    6   HD12  LEU  74          HD11      LEU  74  10.016  -8.874 -10.845
    7   HD11  LEU  74          HD12      LEU  74  10.152 -10.542 -10.293
    8   HD13  LEU  74          HD13      LEU  74   9.756  -9.263  -9.145
    9   HD22  LEU  74          HD21      LEU  74   7.732  -8.765 -12.287
   10   HD21  LEU  74          HD22      LEU  74   6.979 -10.346 -12.184
   11   HD23  LEU  74          HD23      LEU  74   8.709 -10.219 -12.477

  No H/Q in entry =          11
  In of MODEL   37
    1    H    VAL  75           H        VAL  75   5.483 -11.040  -7.834
    2    HA   VAL  75           HA       VAL  75   5.364  -8.238  -7.301
    3    HB   VAL  75           HB       VAL  75   3.431 -10.446  -6.530
    4   HG11  VAL  75          HG11      VAL  75   3.363  -7.460  -6.333
    5   HG13  VAL  75          HG12      VAL  75   2.711  -8.669  -5.228
    6   HG12  VAL  75          HG13      VAL  75   1.869  -8.308  -6.734
    7   HG21  VAL  75          HG21      VAL  75   3.745  -8.719  -8.995
    8   HG23  VAL  75          HG22      VAL  75   2.190  -9.433  -8.572
    9   HG22  VAL  75          HG23      VAL  75   3.576 -10.471  -8.897

  No H/Q in entry =           9
  In of MODEL   37
    1    H    HIS  76           H        HIS  76   5.569 -11.194  -5.143
    2    HA   HIS  76           HA       HIS  76   5.288  -9.950  -2.659
    3    HB2  HIS  76           HB2      HIS  76   5.478 -12.448  -3.135
    4    HB3  HIS  76           HB3      HIS  76   7.226 -12.205  -3.176
    5    HD1  HIS  76           HD1      HIS  76   7.880 -13.276  -0.972
    6    HD2  HIS  76           HD2      HIS  76   4.822 -10.476  -0.528
    7    HE1  HIS  76           HE1      HIS  76   7.545 -12.970   1.519

  No H/Q in entry =           7
  In of MODEL   37
    1    H    ALA  77           H        ALA  77   8.202 -10.429  -4.635
    2    HA   ALA  77           HA       ALA  77   9.954  -9.143  -2.772
    3    HB1  ALA  77           HB1      ALA  77  11.113 -10.521  -4.231
    4    HB3  ALA  77           HB2      ALA  77  11.383  -8.946  -4.976
    5    HB2  ALA  77           HB3      ALA  77  10.156 -10.030  -5.630

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLN  78           H        GLN  78   8.185  -8.077  -5.661
    2    HA   GLN  78           HA       GLN  78   9.292  -5.478  -5.789
    3    HB2  GLN  78           HB2      GLN  78   7.903  -6.736  -7.553
    4    HB3  GLN  78           HB3      GLN  78   6.489  -6.199  -6.646
    5    HG2  GLN  78           HG2      GLN  78   7.228  -3.857  -6.893
    6    HG3  GLN  78           HG3      GLN  78   8.620  -4.399  -7.828
    7   HE21  GLN  78          HE21      GLN  78   6.308  -6.553  -8.707
    8   HE22  GLN  78          HE22      GLN  78   5.634  -5.742 -10.038

  No H/Q in entry =           8
  In of MODEL   37
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   37
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.173  -7.449  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.036  -6.564   0.741
    5    HD1  HIS  80           HD1      HIS  80   9.402  -7.089   3.089
    6    HD2  HIS  80           HD2      HIS  80   6.431  -8.240   0.401
    7    HE1  HIS  80           HE1      HIS  80   7.617  -8.274   4.454
    8    HE2  HIS  80           HE2      HIS  80   5.800  -8.980   2.824

  No H/Q in entry =           8
  In of MODEL   37
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   37
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   37
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   37
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   37
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   37
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   37
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   37
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   37
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   37
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   37
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.081  -6.375 -21.758
    4    HB3  GLU   5           HB3      GLU   5   0.451  -5.130 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.546  -6.101 -22.269
    6    HG3  GLU   5           HG3      GLU   5   2.453  -4.499 -21.543

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   37
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   37
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   37
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.433 -21.000
    4    HB3  MET   9           HB3      MET   9   4.425   1.170 -20.553
    5    HG2  MET   9           HG2      MET   9   5.203  -0.962 -19.627
    6    HG3  MET   9           HG3      MET   9   3.649  -1.709 -19.997
    7    HE3  MET   9           HE1      MET   9   5.833   0.810 -22.586
    8    HE2  MET   9           HE2      MET   9   7.074  -0.441 -22.608
    9    HE1  MET   9           HE3      MET   9   6.524   0.218 -21.070

  No H/Q in entry =           9
  In of MODEL   37
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   37
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.469   1.683 -15.888
    4   HG12  ILE  12          HG12      ILE  12   2.662   0.282 -14.856
    5   HG13  ILE  12          HG13      ILE  12   4.204  -0.540 -14.961
    6   HG22  ILE  12          HG21      ILE  12   6.298   0.762 -14.472
    7   HG21  ILE  12          HG22      ILE  12   5.650   1.661 -13.100
    8   HG23  ILE  12          HG23      ILE  12   6.268   2.525 -14.507
    9   HD11  ILE  12          HD11      ILE  12   4.564   0.171 -12.536
   10   HD13  ILE  12          HD12      ILE  12   3.314  -1.030 -12.813
   11   HD12  ILE  12          HD13      ILE  12   2.874   0.651 -12.541

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.019   5.820 -18.055
    4   HG12  ILE  13          HG12      ILE  13   5.832   3.930 -17.775
    5   HG13  ILE  13          HG13      ILE  13   5.595   4.682 -19.350
    6   HG21  ILE  13          HG21      ILE  13   6.375   7.571 -17.386
    7   HG23  ILE  13          HG22      ILE  13   4.755   8.043 -17.898
    8   HG22  ILE  13          HG23      ILE  13   5.877   7.339 -19.061
    9   HD13  ILE  13          HD11      ILE  13   7.533   6.069 -19.078
   10   HD12  ILE  13          HD12      ILE  13   8.018   4.448 -18.582
   11   HD11  ILE  13          HD13      ILE  13   7.656   5.671 -17.366

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   37
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   37
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   37
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   37
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   37
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   37
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   37
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   37
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   37
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   37
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   37
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   37
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   37
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   37
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   37
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   37
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   37
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.076   7.012  -8.736
    4    HB3  HIS  52           HB3      HIS  52  -7.505   7.706  -9.500
    5    HD1  HIS  52           HD1      HIS  52  -9.767   6.347  -9.231
    6    HD2  HIS  52           HD2      HIS  52  -6.613   4.984  -6.872
    7    HE1  HIS  52           HE1      HIS  52 -10.784   4.816  -7.495
    8    HE2  HIS  52           HE2      HIS  52  -8.875   3.980  -6.041

  No H/Q in entry =           8
  In of MODEL   37
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   37
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   37
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   37
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.893   3.592 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.271   3.345  -9.896
    5   HG21  THR  56          HG21      THR  56 -13.319   1.679 -10.769
    6   HG23  THR  56          HG22      THR  56 -13.814   3.368 -10.864
    7   HG22  THR  56          HG23      THR  56 -12.949   2.784  -9.445

  No H/Q in entry =           7
  In of MODEL   37
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   37
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.667  -1.968 -10.405
    4   HG12  ILE  59          HG12      ILE  59 -10.935  -4.278  -8.948
    5   HG13  ILE  59          HG13      ILE  59  -9.391  -4.466  -9.764
    6   HG23  ILE  59          HG21      ILE  59 -11.917  -1.107 -10.307
    7   HG22  ILE  59          HG22      ILE  59 -11.502  -1.692  -8.717
    8   HG21  ILE  59          HG23      ILE  59 -12.554  -2.644  -9.751
    9   HD13  ILE  59          HD11      ILE  59  -8.775  -3.838  -7.580
   10   HD12  ILE  59          HD12      ILE  59 -10.076  -2.655  -7.464
   11   HD11  ILE  59          HD13      ILE  59  -8.679  -2.329  -8.488

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   37
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   37
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   37
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   37
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   37
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   37
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   37
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   37
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LEU  74           H        LEU  74  -3.307  -7.012 -13.427
    2    HA   LEU  74           HA       LEU  74  -3.959  -4.387 -12.831
    3    HB2  LEU  74           HB2      LEU  74  -5.592  -6.179 -12.860
    4    HB3  LEU  74           HB3      LEU  74  -4.788  -6.991 -11.523
    5    HG   LEU  74           HG       LEU  74  -5.327  -5.077 -10.053
    6   HD12  LEU  74          HD11      LEU  74  -7.158  -3.519 -11.083
    7   HD11  LEU  74          HD12      LEU  74  -6.481  -4.026 -12.629
    8   HD13  LEU  74          HD13      LEU  74  -5.466  -3.194 -11.452
    9   HD22  LEU  74          HD21      LEU  74  -7.536  -5.790  -9.668
   10   HD21  LEU  74          HD22      LEU  74  -6.915  -7.113 -10.639
   11   HD23  LEU  74          HD23      LEU  74  -7.906  -5.868 -11.389

  No H/Q in entry =          11
  In of MODEL   37
    1    H    VAL  75           H        VAL  75  -2.287  -6.755 -10.895
    2    HA   VAL  75           HA       VAL  75  -2.161  -5.211  -8.500
    3    HB   VAL  75           HB       VAL  75  -0.354  -7.456  -9.436
    4   HG11  VAL  75          HG11      VAL  75  -0.620  -5.909  -6.884
    5   HG13  VAL  75          HG12      VAL  75   0.832  -6.535  -7.664
    6   HG12  VAL  75          HG13      VAL  75  -0.239  -7.628  -6.788
    7   HG21  VAL  75          HG21      VAL  75  -2.967  -7.383  -7.905
    8   HG23  VAL  75          HG22      VAL  75  -1.852  -8.742  -7.755
    9   HG22  VAL  75          HG23      VAL  75  -2.555  -8.347  -9.322

  No H/Q in entry =           9
  In of MODEL   37
    1    H    HIS  76           H        HIS  76   0.133  -5.637 -11.320
    2    HA   HIS  76           HA       HIS  76   2.300  -4.172 -10.344
    3    HB2  HIS  76           HB2      HIS  76   2.197  -5.481 -12.514
    4    HB3  HIS  76           HB3      HIS  76   1.366  -4.092 -13.215
    5    HD1  HIS  76           HD1      HIS  76   3.956  -3.400 -10.645
    6    HD2  HIS  76           HD2      HIS  76   3.732  -3.550 -14.804
    7    HE1  HIS  76           HE1      HIS  76   6.059  -2.290 -11.515

  No H/Q in entry =           7
  In of MODEL   37
    1    H    ALA  77           H        ALA  77  -0.581  -3.049 -12.096
    2    HA   ALA  77           HA       ALA  77   0.184  -0.296 -12.077
    3    HB2  ALA  77           HB1      ALA  77  -1.408  -0.756 -13.704
    4    HB3  ALA  77           HB2      ALA  77  -2.414  -0.057 -12.436
    5    HB1  ALA  77           HB3      ALA  77  -2.349  -1.806 -12.644

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLN  78           H        GLN  78  -1.838  -2.313  -9.970
    2    HA   GLN  78           HA       GLN  78  -2.774  -0.217  -8.311
    3    HB2  GLN  78           HB2      GLN  78  -3.620  -2.642  -8.495
    4    HB3  GLN  78           HB3      GLN  78  -2.306  -3.053  -7.393
    5    HG2  GLN  78           HG2      GLN  78  -3.166  -1.401  -5.770
    6    HG3  GLN  78           HG3      GLN  78  -4.500  -1.034  -6.860
    7   HE21  GLN  78          HE21      GLN  78  -4.043  -4.235  -7.394
    8   HE22  GLN  78          HE22      GLN  78  -5.078  -4.887  -6.217

  No H/Q in entry =           8
  In of MODEL   37
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   37
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.313   0.894 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.971   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.420   2.764 -10.649
    6    HD2  HIS  80           HD2      HIS  80   4.376  -1.184  -9.816
    7    HE1  HIS  80           HE1      HIS  80   7.548   1.395 -10.870
    8    HE2  HIS  80           HE2      HIS  80   6.923  -1.016 -10.366

  No H/Q in entry =           8
  In of MODEL   37
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   37
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   37
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   37
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   37
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   37
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   37
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   37
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   37
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   37
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   37
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   37
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   37
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   37
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   37
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   37
    1    H    PHE   9           H        PHE   9 -21.285   0.633  -3.911
    2    HA   PHE   9           HA       PHE   9 -18.525   1.528  -4.537
    3    HB2  PHE   9           HB2      PHE   9 -20.351   2.444  -2.307
    4    HB3  PHE   9           HB3      PHE   9 -18.642   2.859  -2.433
    5    HD1  PHE   9           HD1      PHE   9 -21.995   3.502  -3.680
    6    HD2  PHE   9           HD2      PHE   9 -17.816   4.182  -4.396
    7    HE1  PHE   9           HE1      PHE   9 -22.563   5.349  -5.232
    8    HE2  PHE   9           HE2      PHE   9 -18.384   6.030  -5.952
    9    HZ   PHE   9           HZ       PHE   9 -20.758   6.613  -6.369

  No H/Q in entry =           9
  In of MODEL   37
    1    H    CYS  10           H        CYS  10 -16.925   0.916  -3.224
    2    HA   CYS  10           HA       CYS  10 -17.187  -0.747  -0.886
    3    HB2  CYS  10           HB2      CYS  10 -16.121  -2.708  -1.666
    4    HB3  CYS  10           HB3      CYS  10 -17.275  -2.320  -2.945

  No H/Q in entry =           4
  In of MODEL   37
    1    H    SER  11           H        SER  11 -14.447  -1.448  -0.396
    2    HA   SER  11           HA       SER  11 -13.465   1.166  -0.018
    3    HB2  SER  11           HB2      SER  11 -11.193  -0.196   0.242
    4    HB3  SER  11           HB3      SER  11 -12.443  -0.268   1.466
    5    HG   SER  11           HG       SER  11 -12.248  -2.343   1.064

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA  12           H        ALA  12 -12.198  -1.352  -2.353
    2    HA   ALA  12           HA       ALA  12 -10.810   0.883  -3.675
    3    HB1  ALA  12           HB1      ALA  12 -10.091  -1.843  -3.033
    4    HB3  ALA  12           HB2      ALA  12  -9.066  -0.528  -3.605
    5    HB2  ALA  12           HB3      ALA  12  -9.918  -1.547  -4.763

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLY  13           H        GLY  13 -13.008  -1.809  -4.236
    2    HA3  GLY  13           HA2      GLY  13 -14.794  -1.485  -5.853
    3    HA2  GLY  13           HA3      GLY  13 -13.626  -0.671  -6.886

  No H/Q in entry =           3
  In of MODEL   37
    1    H    MET  14           H        MET  14 -12.753  -3.647  -5.195
    2    HA   MET  14           HA       MET  14 -12.601  -4.936  -7.845
    3    HB2  MET  14           HB2      MET  14 -10.487  -4.653  -6.529
    4    HB3  MET  14           HB3      MET  14 -11.153  -5.756  -5.325
    5    HG2  MET  14           HG2      MET  14 -11.378  -7.510  -7.030
    6    HG3  MET  14           HG3      MET  14 -10.762  -6.410  -8.262
    7    HE3  MET  14           HE1      MET  14  -9.472  -9.204  -7.897
    8    HE2  MET  14           HE2      MET  14  -7.769  -8.768  -8.003
    9    HE1  MET  14           HE3      MET  14  -8.946  -7.948  -9.025

  No H/Q in entry =           9
  In of MODEL   37
    1    H    SER  15           H        SER  15 -12.861  -6.267  -4.550
    2    HA   SER  15           HA       SER  15 -14.070  -8.631  -5.202
    3    HB2  SER  15           HB2      SER  15 -13.420  -7.715  -2.876
    4    HB3  SER  15           HB3      SER  15 -15.073  -7.100  -2.825
    5    HG   SER  15           HG       SER  15 -14.230  -9.781  -3.247

  No H/Q in entry =           5
  In of MODEL   37
    1    H    THR  16           H        THR  16 -15.519  -5.463  -5.464
    2    HA   THR  16           HA       THR  16 -18.198  -6.688  -5.636
    3    HB   THR  16           HB       THR  16 -17.458  -3.768  -5.947
    4    HG1  THR  16           HG1      THR  16 -17.010  -3.992  -3.901
    5   HG21  THR  16          HG21      THR  16 -20.015  -5.324  -5.627
    6   HG23  THR  16          HG22      THR  16 -19.624  -4.063  -6.798
    7   HG22  THR  16          HG23      THR  16 -19.922  -3.639  -5.112

  No H/Q in entry =           7
  In of MODEL   37
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   37
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   37
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   37
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   37
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   37
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   37
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   37
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   37
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   37
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   37
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   37
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   37
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   37
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   37
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   37
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   37
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   37
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   37
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   37
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   37
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   37
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   37
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.437   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.055  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.564  -6.667   2.788
    4    HG2  PRO  58           HG2      PRO  58 -20.795  -7.077   1.796
    5    HG3  PRO  58           HG3      PRO  58 -22.329  -7.697   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.014  -5.618  -0.003
    7    HD3  PRO  58           HD3      PRO  58 -22.789  -5.737  -0.012

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   37
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   37
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   37
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   37
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   37
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   37
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   37
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   37
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   37
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   37
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   37
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   37
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   37
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   37
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   37
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   37
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   37
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   37
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   37
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   37
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   37
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   37
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   37
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   37
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   37
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   37
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   37
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   37
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   37
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   37
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   37
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   38
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.290 -14.286  -2.727
    4    HB3  GLU   5           HB3      GLU   5 -14.697 -13.924  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.581 -11.563  -2.364
    6    HG3  GLU   5           HG3      GLU   5 -13.127 -11.871  -3.313

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   38
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   38
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   38
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.710  -8.426   1.550
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.705   1.335
    5    HG2  MET   9           HG2      MET   9 -14.269  -6.809  -0.976
    6    HG3  MET   9           HG3      MET   9 -13.807  -8.499  -0.780
    7    HE3  MET   9           HE1      MET   9 -17.373  -6.712   0.528
    8    HE2  MET   9           HE2      MET   9 -17.822  -6.519  -1.164
    9    HE1  MET   9           HE3      MET   9 -16.296  -5.867  -0.587

  No H/Q in entry =           9
  In of MODEL   38
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   38
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.958  -4.313   1.271
    4   HG12  ILE  12          HG12      ILE  12  -9.575  -6.243   0.904
    5   HG13  ILE  12          HG13      ILE  12  -9.596  -5.339  -0.597
    6   HG22  ILE  12          HG21      ILE  12  -8.636  -2.685   0.232
    7   HG21  ILE  12          HG22      ILE  12 -10.171  -2.041   0.818
    8   HG23  ILE  12          HG23      ILE  12 -10.121  -3.041  -0.639
    9   HD13  ILE  12          HD11      ILE  12  -7.325  -5.957  -0.267
   10   HD12  ILE  12          HD12      ILE  12  -7.391  -5.568   1.443
   11   HD11  ILE  12          HD13      ILE  12  -7.420  -4.281   0.246

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.236
    4   HG12  ILE  13          HG12      ILE  13 -13.493  -3.071   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.922  -3.525   3.578
    6   HG22  ILE  13          HG21      ILE  13 -15.157  -1.882   5.704
    7   HG21  ILE  13          HG22      ILE  13 -13.913  -0.661   5.431
    8   HG23  ILE  13          HG23      ILE  13 -13.725  -1.835   6.734
    9   HD13  ILE  13          HD11      ILE  13 -15.796  -1.371   3.547
   10   HD12  ILE  13          HD12      ILE  13 -14.938  -1.385   2.011
   11   HD11  ILE  13          HD13      ILE  13 -14.205  -0.624   3.420

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   38
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   38
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   38
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   38
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   38
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   38
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   38
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   38
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   38
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   38
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   38
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   38
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   38
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   38
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   38
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   38
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   38
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.938  -6.672  10.555
    4    HB3  HIS  52           HB3      HIS  52  -1.117  -7.739  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.193 -10.086  11.784
    6    HD2  HIS  52           HD2      HIS  52   1.312  -7.199   8.994
    7    HE1  HIS  52           HE1      HIS  52   2.415 -10.838  10.829
    8    HE2  HIS  52           HE2      HIS  52   3.112  -9.087   9.126

  No H/Q in entry =           8
  In of MODEL   38
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   38
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   38
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   38
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.098 -14.212  10.983
    4    HG1  THR  56           HG1      THR  56  -0.661 -12.037  10.292
    5   HG22  THR  56          HG21      THR  56   1.852 -14.306  10.472
    6   HG21  THR  56          HG22      THR  56   0.904 -15.719  10.014
    7   HG23  THR  56          HG23      THR  56   0.890 -15.152  11.682

  No H/Q in entry =           7
  In of MODEL   38
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   38
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.299 -14.627   4.878
    4   HG12  ILE  59          HG12      ILE  59   2.415 -16.288   3.499
    5   HG13  ILE  59          HG13      ILE  59   1.191 -15.389   2.617
    6   HG22  ILE  59          HG21      ILE  59   2.557 -16.387   5.653
    7   HG21  ILE  59          HG22      ILE  59   1.122 -16.488   6.638
    8   HG23  ILE  59          HG23      ILE  59   1.949 -14.950   6.454
    9   HD12  ILE  59          HD11      ILE  59   3.362 -14.314   4.405
   10   HD11  ILE  59          HD12      ILE  59   1.939 -13.351   4.008
   11   HD13  ILE  59          HD13      ILE  59   3.019 -13.897   2.727

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   38
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   38
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   38
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   38
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   38
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   38
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   38
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   38
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LEU  74           H        LEU  74  -4.294 -13.682  -2.345
    2    HA   LEU  74           HA       LEU  74  -3.893 -12.587   0.167
    3    HB2  LEU  74           HB2      LEU  74  -2.984 -14.727  -0.505
    4    HB3  LEU  74           HB3      LEU  74  -1.975 -13.960  -1.726
    5    HG   LEU  74           HG       LEU  74  -0.739 -12.778   0.058
    6   HD11  LEU  74          HD11      LEU  74  -2.759 -14.215   1.765
    7   HD13  LEU  74          HD12      LEU  74  -2.242 -12.532   1.845
    8   HD12  LEU  74          HD13      LEU  74  -1.175 -13.811   2.427
    9   HD21  LEU  74          HD21      LEU  74  -0.311 -15.261  -0.801
   10   HD23  LEU  74          HD22      LEU  74  -0.758 -15.679   0.844
   11   HD22  LEU  74          HD23      LEU  74   0.614 -14.616   0.553

  No H/Q in entry =          11
  In of MODEL   38
    1    H    VAL  75           H        VAL  75  -2.625 -11.597  -2.918
    2    HA   VAL  75           HA       VAL  75  -0.688  -9.763  -1.871
    3    HB   VAL  75           HB       VAL  75  -1.973  -9.907  -4.617
    4   HG11  VAL  75          HG11      VAL  75   0.148  -8.195  -3.414
    5   HG13  VAL  75          HG12      VAL  75  -1.000  -7.825  -4.699
    6   HG12  VAL  75          HG13      VAL  75   0.432  -8.791  -5.048
    7   HG23  VAL  75          HG21      VAL  75   0.710 -10.975  -3.661
    8   HG22  VAL  75          HG22      VAL  75   0.015 -11.166  -5.270
    9   HG21  VAL  75          HG23      VAL  75  -0.732 -11.966  -3.889

  No H/Q in entry =           9
  In of MODEL   38
    1    H    HIS  76           H        HIS  76  -4.292  -9.354  -3.215
    2    HA   HIS  76           HA       HIS  76  -4.624  -6.584  -3.117
    3    HB2  HIS  76           HB2      HIS  76  -6.355  -8.126  -4.014
    4    HB3  HIS  76           HB3      HIS  76  -6.710  -8.666  -2.378
    5    HD1  HIS  76           HD1      HIS  76  -6.022  -5.076  -2.349
    6    HD2  HIS  76           HD2      HIS  76  -9.390  -7.426  -3.155
    7    HE1  HIS  76           HE1      HIS  76  -8.038  -3.526  -2.223

  No H/Q in entry =           7
  In of MODEL   38
    1    H    ALA  77           H        ALA  77  -4.678  -8.964  -0.557
    2    HA   ALA  77           HA       ALA  77  -5.499  -7.060   1.476
    3    HB2  ALA  77           HB1      ALA  77  -4.773  -9.059   2.991
    4    HB1  ALA  77           HB2      ALA  77  -4.705  -9.956   1.475
    5    HB3  ALA  77           HB3      ALA  77  -6.221  -9.221   1.996

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLN  78           H        GLN  78  -2.484  -8.755   0.555
    2    HA   GLN  78           HA       GLN  78  -0.895  -7.700   2.635
    3    HB2  GLN  78           HB2      GLN  78  -0.372  -9.639   1.036
    4    HB3  GLN  78           HB3      GLN  78   0.127  -8.402  -0.117
    5    HG2  GLN  78           HG2      GLN  78   1.716  -7.512   1.570
    6    HG3  GLN  78           HG3      GLN  78   1.258  -8.814   2.664
    7   HE21  GLN  78          HE21      GLN  78   0.979 -10.540   0.035
    8   HE22  GLN  78          HE22      GLN  78   2.581 -11.015  -0.261

  No H/Q in entry =           8
  In of MODEL   38
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   38
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.176
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.803   2.201
    5    HD1  HIS  80           HD1      HIS  80  -6.581  -0.857   1.153
    6    HD2  HIS  80           HD2      HIS  80  -5.172  -3.552  -1.699
    7    HE1  HIS  80           HE1      HIS  80  -7.492  -0.076  -1.084
    8    HE2  HIS  80           HE2      HIS  80  -6.639  -1.713  -2.832

  No H/Q in entry =           8
  In of MODEL   38
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   38
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   38
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   38
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   38
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   38
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   38
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   38
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   38
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   38
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   38
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.427 -20.434  -4.411
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.883  -3.470
    5    HG2  GLU   5           HG2      GLU   5  10.892 -19.858  -1.469
    6    HG3  GLU   5           HG3      GLU   5   9.490 -19.319  -2.392

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   38
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   38
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   38
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.039 -16.705   0.859
    4    HB3  MET   9           HB3      MET   9  13.727 -16.163   2.508
    5    HG2  MET   9           HG2      MET   9  11.338 -16.592   2.236
    6    HG3  MET   9           HG3      MET   9  11.587 -17.043   0.549
    7    HE3  MET   9           HE1      MET   9  13.958 -18.239   3.785
    8    HE2  MET   9           HE2      MET   9  12.604 -19.194   4.382
    9    HE1  MET   9           HE3      MET   9  12.391 -17.473   4.074

  No H/Q in entry =           9
  In of MODEL   38
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   38
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.945   2.336
    4   HG12  ILE  12          HG12      ILE  12  10.807 -12.040   0.170
    5   HG13  ILE  12          HG13      ILE  12   9.359 -11.916   1.149
    6   HG21  ILE  12          HG21      ILE  12   9.689  -9.769   3.000
    7   HG23  ILE  12          HG22      ILE  12  10.814 -10.534   4.122
    8   HG22  ILE  12          HG23      ILE  12   9.502 -11.472   3.411
    9   HD13  ILE  12          HD11      ILE  12   9.074 -10.385  -0.652
   10   HD12  ILE  12          HD12      ILE  12  10.713  -9.780  -0.493
   11   HD11  ILE  12          HD13      ILE  12   9.514  -9.402   0.736

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.104 -11.634   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.814 -12.624   4.653
    5   HG13  ILE  13          HG13      ILE  13  15.292 -13.528   4.961
    6   HG22  ILE  13          HG21      ILE  13  17.052 -11.967   6.229
    7   HG21  ILE  13          HG22      ILE  13  16.120 -10.532   6.654
    8   HG23  ILE  13          HG23      ILE  13  17.381 -10.432   5.426
    9   HD13  ILE  13          HD11      ILE  13  15.240 -13.102   7.235
   10   HD12  ILE  13          HD12      ILE  13  13.511 -13.061   6.897
   11   HD11  ILE  13          HD13      ILE  13  14.419 -11.556   7.030

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   38
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   38
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   38
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   38
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   38
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   38
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   38
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   38
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   38
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   38
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   38
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   38
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   38
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   38
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   38
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   38
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   38
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.304  -1.676  -5.691
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.643
    5    HD1  HIS  52           HD1      HIS  52  17.438  -2.052  -9.299
    6    HD2  HIS  52           HD2      HIS  52  14.054  -0.911  -7.148
    7    HE1  HIS  52           HE1      HIS  52  15.779  -1.165 -10.993
    8    HE2  HIS  52           HE2      HIS  52  13.711  -0.463  -9.698

  No H/Q in entry =           8
  In of MODEL   38
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   38
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   38
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   38
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.454 -12.058
    4    HG1  THR  56           HG1      THR  56  16.710  -4.310 -10.366
    5   HG22  THR  56          HG21      THR  56  16.174  -3.495 -13.613
    6   HG21  THR  56          HG22      THR  56  16.348  -5.120 -14.275
    7   HG23  THR  56          HG23      THR  56  17.778  -4.142 -13.955

  No H/Q in entry =           7
  In of MODEL   38
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   38
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.818  -7.168 -12.521
    4   HG12  ILE  59          HG12      ILE  59   9.918  -7.017 -14.869
    5   HG13  ILE  59          HG13      ILE  59   9.515  -7.842 -13.371
    6   HG23  ILE  59          HG21      ILE  59  12.469  -5.394 -13.865
    7   HG22  ILE  59          HG22      ILE  59  11.840  -6.123 -15.320
    8   HG21  ILE  59          HG23      ILE  59  13.358  -6.691 -14.644
    9   HD12  ILE  59          HD11      ILE  59  10.082  -4.914 -13.787
   10   HD11  ILE  59          HD12      ILE  59  10.179  -5.651 -12.188
   11   HD13  ILE  59          HD13      ILE  59   8.653  -5.660 -13.072

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   38
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   38
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   38
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   38
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   38
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   38
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   38
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   38
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LEU  74           H        LEU  74   7.009 -13.171  -8.611
    2    HA   LEU  74           HA       LEU  74   8.959 -11.252  -8.142
    3    HB2  LEU  74           HB2      LEU  74   8.310 -11.956 -10.365
    4    HB3  LEU  74           HB3      LEU  74   6.682 -11.329 -10.132
    5    HG   LEU  74           HG       LEU  74   7.610  -9.041  -9.945
    6   HD11  LEU  74          HD11      LEU  74  10.182 -10.566 -10.290
    7   HD13  LEU  74          HD12      LEU  74   9.801  -9.290  -9.135
    8   HD12  LEU  74          HD13      LEU  74  10.070  -8.893 -10.832
    9   HD21  LEU  74          HD21      LEU  74   7.022 -10.357 -12.187
   10   HD23  LEU  74          HD22      LEU  74   8.745 -10.198 -12.475
   11   HD22  LEU  74          HD23      LEU  74   7.759  -8.758 -12.256

  No H/Q in entry =          11
  In of MODEL   38
    1    H    VAL  75           H        VAL  75   5.482 -11.021  -7.869
    2    HA   VAL  75           HA       VAL  75   5.366  -8.224  -7.343
    3    HB   VAL  75           HB       VAL  75   3.442 -10.451  -6.608
    4   HG11  VAL  75          HG11      VAL  75   3.371  -7.484  -6.246
    5   HG13  VAL  75          HG12      VAL  75   2.707  -8.754  -5.219
    6   HG12  VAL  75          HG13      VAL  75   1.875  -8.297  -6.705
    7   HG23  VAL  75          HG21      VAL  75   3.376  -8.443  -8.892
    8   HG22  VAL  75          HG22      VAL  75   2.213  -9.736  -8.605
    9   HG21  VAL  75          HG23      VAL  75   3.871 -10.128  -9.054

  No H/Q in entry =           9
  In of MODEL   38
    1    H    HIS  76           H        HIS  76   5.550 -11.160  -5.153
    2    HA   HIS  76           HA       HIS  76   5.275  -9.882  -2.684
    3    HB2  HIS  76           HB2      HIS  76   5.426 -12.382  -3.108
    4    HB3  HIS  76           HB3      HIS  76   7.177 -12.173  -3.191
    5    HD1  HIS  76           HD1      HIS  76   4.453 -10.936  -0.804
    6    HD2  HIS  76           HD2      HIS  76   8.264 -12.625  -0.700
    7    HE1  HIS  76           HE1      HIS  76   5.073 -11.155   1.641

  No H/Q in entry =           7
  In of MODEL   38
    1    H    ALA  77           H        ALA  77   8.195 -10.426  -4.643
    2    HA   ALA  77           HA       ALA  77   9.958  -9.140  -2.796
    3    HB3  ALA  77           HB1      ALA  77  11.390  -8.959  -4.990
    4    HB2  ALA  77           HB2      ALA  77  10.142 -10.008  -5.660
    5    HB1  ALA  77           HB3      ALA  77  11.089 -10.542  -4.272

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLN  78           H        GLN  78   8.172  -8.071  -5.665
    2    HA   GLN  78           HA       GLN  78   9.282  -5.469  -5.803
    3    HB2  GLN  78           HB2      GLN  78   7.888  -6.728  -7.561
    4    HB3  GLN  78           HB3      GLN  78   6.477  -6.197  -6.646
    5    HG2  GLN  78           HG2      GLN  78   7.232  -3.849  -6.886
    6    HG3  GLN  78           HG3      GLN  78   8.593  -4.400  -7.860
    7   HE21  GLN  78          HE21      GLN  78   6.574  -6.583  -8.919
    8   HE22  GLN  78          HE22      GLN  78   5.730  -5.742 -10.128

  No H/Q in entry =           8
  In of MODEL   38
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   38
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.168  -7.452  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.039  -6.564   0.735
    5    HD1  HIS  80           HD1      HIS  80   9.309  -6.901   3.114
    6    HD2  HIS  80           HD2      HIS  80   6.535  -8.415   0.394
    7    HE1  HIS  80           HE1      HIS  80   7.554  -8.127   4.482
    8    HE2  HIS  80           HE2      HIS  80   5.857  -9.053   2.833

  No H/Q in entry =           8
  In of MODEL   38
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   38
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   38
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   38
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   38
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   38
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   38
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   38
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   38
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   38
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   38
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.101  -6.380 -21.737
    4    HB3  GLU   5           HB3      GLU   5   0.426  -5.145 -22.953
    5    HG2  GLU   5           HG2      GLU   5   2.489  -4.509 -21.798
    6    HG3  GLU   5           HG3      GLU   5   2.157  -5.673 -20.519

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   38
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   38
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   38
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.437 -21.000
    4    HB3  MET   9           HB3      MET   9   4.427   1.168 -20.551
    5    HG2  MET   9           HG2      MET   9   5.210  -0.963 -19.643
    6    HG3  MET   9           HG3      MET   9   3.647  -1.707 -19.981
    7    HE3  MET   9           HE1      MET   9   5.772   0.815 -22.554
    8    HE2  MET   9           HE2      MET   9   6.996  -0.441 -22.727
    9    HE1  MET   9           HE3      MET   9   6.565   0.146 -21.122

  No H/Q in entry =           9
  In of MODEL   38
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   38
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.498   1.700 -15.884
    4   HG12  ILE  12          HG12      ILE  12   2.934   0.068 -15.301
    5   HG13  ILE  12          HG13      ILE  12   4.376  -0.528 -14.506
    6   HG21  ILE  12          HG21      ILE  12   5.600   1.587 -13.067
    7   HG23  ILE  12          HG22      ILE  12   6.264   2.509 -14.416
    8   HG22  ILE  12          HG23      ILE  12   6.287   0.748 -14.456
    9   HD13  ILE  12          HD11      ILE  12   2.591  -0.711 -12.929
   10   HD12  ILE  12          HD12      ILE  12   2.019   0.910 -13.287
   11   HD11  ILE  12          HD13      ILE  12   3.541   0.681 -12.436

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.814 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.821   3.926 -17.793
    5   HG13  ILE  13          HG13      ILE  13   5.624   4.708 -19.359
    6   HG22  ILE  13          HG21      ILE  13   5.831   7.356 -19.072
    7   HG21  ILE  13          HG22      ILE  13   6.391   7.562 -17.412
    8   HG23  ILE  13          HG23      ILE  13   4.756   8.048 -17.857
    9   HD13  ILE  13          HD11      ILE  13   7.639   5.836 -19.199
   10   HD12  ILE  13          HD12      ILE  13   8.030   4.414 -18.234
   11   HD11  ILE  13          HD13      ILE  13   7.569   5.918 -17.440

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   38
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   38
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   38
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   38
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   38
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   38
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   38
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   38
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   38
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   38
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   38
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   38
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   38
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   38
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   38
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   38
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   38
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.028  -8.746
    4    HB3  HIS  52           HB3      HIS  52  -7.522   7.697  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.736   6.185  -9.292
    6    HD2  HIS  52           HD2      HIS  52  -6.586   5.118  -6.780
    7    HE1  HIS  52           HE1      HIS  52 -10.718   4.676  -7.518
    8    HE2  HIS  52           HE2      HIS  52  -8.812   4.020  -5.971

  No H/Q in entry =           8
  In of MODEL   38
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   38
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   38
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   38
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.893   3.592 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.101   4.053 -10.706
    5   HG22  THR  56          HG21      THR  56 -12.957   2.753  -9.442
    6   HG21  THR  56          HG22      THR  56 -13.324   1.687 -10.797
    7   HG23  THR  56          HG23      THR  56 -13.807   3.380 -10.854

  No H/Q in entry =           7
  In of MODEL   38
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   38
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.643  -1.995 -10.398
    4   HG12  ILE  59          HG12      ILE  59 -10.999  -4.297  -8.995
    5   HG13  ILE  59          HG13      ILE  59  -9.406  -4.460  -9.717
    6   HG23  ILE  59          HG21      ILE  59 -11.698  -0.940 -10.131
    7   HG22  ILE  59          HG22      ILE  59 -11.626  -1.908  -8.682
    8   HG21  ILE  59          HG23      ILE  59 -12.598  -2.443 -10.044
    9   HD12  ILE  59          HD11      ILE  59 -10.254  -2.759  -7.400
   10   HD11  ILE  59          HD12      ILE  59  -8.868  -2.273  -8.374
   11   HD13  ILE  59          HD13      ILE  59  -8.858  -3.827  -7.542

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   38
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   38
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   38
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   38
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   38
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   38
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   38
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   38
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LEU  74           H        LEU  74  -3.310  -7.009 -13.426
    2    HA   LEU  74           HA       LEU  74  -3.950  -4.378 -12.841
    3    HB2  LEU  74           HB2      LEU  74  -5.589  -6.167 -12.874
    4    HB3  LEU  74           HB3      LEU  74  -4.800  -6.971 -11.523
    5    HG   LEU  74           HG       LEU  74  -5.340  -5.037 -10.076
    6   HD11  LEU  74          HD11      LEU  74  -6.481  -4.018 -12.669
    7   HD13  LEU  74          HD12      LEU  74  -5.468  -3.174 -11.500
    8   HD12  LEU  74          HD13      LEU  74  -7.164  -3.484 -11.135
    9   HD21  LEU  74          HD21      LEU  74  -6.935  -7.087 -10.659
   10   HD23  LEU  74          HD22      LEU  74  -7.918  -5.838 -11.403
   11   HD22  LEU  74          HD23      LEU  74  -7.534  -5.743  -9.689

  No H/Q in entry =          11
  In of MODEL   38
    1    H    VAL  75           H        VAL  75  -2.311  -6.757 -10.878
    2    HA   VAL  75           HA       VAL  75  -2.175  -5.195  -8.496
    3    HB   VAL  75           HB       VAL  75  -0.416  -7.477  -9.434
    4   HG11  VAL  75          HG11      VAL  75  -0.530  -5.853  -6.923
    5   HG13  VAL  75          HG12      VAL  75   0.865  -6.564  -7.733
    6   HG12  VAL  75          HG13      VAL  75  -0.213  -7.581  -6.779
    7   HG23  VAL  75          HG21      VAL  75  -2.758  -7.454  -7.490
    8   HG22  VAL  75          HG22      VAL  75  -1.845  -8.869  -8.015
    9   HG21  VAL  75          HG23      VAL  75  -2.858  -7.998  -9.164

  No H/Q in entry =           9
  In of MODEL   38
    1    H    HIS  76           H        HIS  76   0.117  -5.651 -11.313
    2    HA   HIS  76           HA       HIS  76   2.292  -4.190 -10.351
    3    HB2  HIS  76           HB2      HIS  76   2.060  -5.509 -12.561
    4    HB3  HIS  76           HB3      HIS  76   1.410  -4.008 -13.222
    5    HD1  HIS  76           HD1      HIS  76   3.168  -1.941 -11.822
    6    HD2  HIS  76           HD2      HIS  76   4.684  -5.447 -13.491
    7    HE1  HIS  76           HE1      HIS  76   5.619  -1.511 -12.286

  No H/Q in entry =           7
  In of MODEL   38
    1    H    ALA  77           H        ALA  77  -0.594  -3.061 -12.087
    2    HA   ALA  77           HA       ALA  77   0.177  -0.308 -12.077
    3    HB3  ALA  77           HB1      ALA  77  -2.414  -0.060 -12.441
    4    HB2  ALA  77           HB2      ALA  77  -2.362  -1.812 -12.626
    5    HB1  ALA  77           HB3      ALA  77  -1.421  -0.785 -13.707

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLN  78           H        GLN  78  -1.836  -2.324  -9.965
    2    HA   GLN  78           HA       GLN  78  -2.779  -0.229  -8.310
    3    HB2  GLN  78           HB2      GLN  78  -3.622  -2.653  -8.489
    4    HB3  GLN  78           HB3      GLN  78  -2.303  -3.064  -7.394
    5    HG2  GLN  78           HG2      GLN  78  -3.159  -1.395  -5.773
    6    HG3  GLN  78           HG3      GLN  78  -4.513  -1.065  -6.852
    7   HE21  GLN  78          HE21      GLN  78  -4.338  -4.139  -7.544
    8   HE22  GLN  78          HE22      GLN  78  -5.204  -4.850  -6.269

  No H/Q in entry =           8
  In of MODEL   38
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   38
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.316   0.890 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.966   2.520 -10.292
    5    HD1  HIS  80           HD1      HIS  80   5.453   2.796 -10.451
    6    HD2  HIS  80           HD2      HIS  80   4.349  -1.199 -10.012
    7    HE1  HIS  80           HE1      HIS  80   7.577   1.429 -10.720
    8    HE2  HIS  80           HE2      HIS  80   6.915  -1.010 -10.456

  No H/Q in entry =           8
  In of MODEL   38
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   38
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   38
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   38
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   38
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   38
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   38
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   38
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   38
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   38
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   38
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   38
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   38
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   38
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   38
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   38
    1    H    PHE   9           H        PHE   9 -21.267   0.636  -3.902
    2    HA   PHE   9           HA       PHE   9 -18.515   1.532  -4.557
    3    HB2  PHE   9           HB2      PHE   9 -20.319   2.447  -2.310
    4    HB3  PHE   9           HB3      PHE   9 -18.611   2.859  -2.448
    5    HD1  PHE   9           HD1      PHE   9 -21.967   3.565  -3.605
    6    HD2  PHE   9           HD2      PHE   9 -17.802   4.128  -4.480
    7    HE1  PHE   9           HE1      PHE   9 -22.543   5.416  -5.149
    8    HE2  PHE   9           HE2      PHE   9 -18.378   5.979  -6.029
    9    HZ   PHE   9           HZ       PHE   9 -20.749   6.623  -6.363

  No H/Q in entry =           9
  In of MODEL   38
    1    H    CYS  10           H        CYS  10 -16.885   0.905  -3.256
    2    HA   CYS  10           HA       CYS  10 -17.167  -0.784  -0.933
    3    HB2  CYS  10           HB2      CYS  10 -16.094  -2.729  -1.734
    4    HB3  CYS  10           HB3      CYS  10 -17.223  -2.317  -3.029

  No H/Q in entry =           4
  In of MODEL   38
    1    H    SER  11           H        SER  11 -14.429  -1.478  -0.404
    2    HA   SER  11           HA       SER  11 -13.447   1.131  -0.001
    3    HB2  SER  11           HB2      SER  11 -12.539  -0.466   1.455
    4    HB3  SER  11           HB3      SER  11 -12.138  -1.569   0.155
    5    HG   SER  11           HG       SER  11 -10.729   0.280  -0.562

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA  12           H        ALA  12 -12.172  -1.357  -2.356
    2    HA   ALA  12           HA       ALA  12 -10.784   0.890  -3.655
    3    HB2  ALA  12           HB1      ALA  12  -9.921  -1.546  -4.769
    4    HB1  ALA  12           HB2      ALA  12 -10.064  -1.838  -3.037
    5    HB3  ALA  12           HB3      ALA  12  -9.044  -0.527  -3.627

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLY  13           H        GLY  13 -12.848  -1.899  -4.316
    2    HA3  GLY  13           HA2      GLY  13 -14.684  -1.514  -5.920
    3    HA2  GLY  13           HA3      GLY  13 -13.495  -0.725  -6.948

  No H/Q in entry =           3
  In of MODEL   38
    1    H    MET  14           H        MET  14 -12.709  -3.719  -5.196
    2    HA   MET  14           HA       MET  14 -12.551  -5.019  -7.842
    3    HB2  MET  14           HB2      MET  14 -10.459  -4.757  -6.432
    4    HB3  MET  14           HB3      MET  14 -11.166  -5.936  -5.326
    5    HG2  MET  14           HG2      MET  14 -11.512  -7.369  -7.492
    6    HG3  MET  14           HG3      MET  14 -10.274  -6.316  -8.175
    7    HE1  MET  14           HE1      MET  14  -7.979  -6.065  -7.469
    8    HE3  MET  14           HE2      MET  14  -8.072  -7.547  -8.415
    9    HE2  MET  14           HE3      MET  14  -7.070  -7.496  -6.968

  No H/Q in entry =           9
  In of MODEL   38
    1    H    SER  15           H        SER  15 -12.850  -6.337  -4.559
    2    HA   SER  15           HA       SER  15 -14.106  -8.675  -5.200
    3    HB2  SER  15           HB2      SER  15 -13.446  -7.732  -2.874
    4    HB3  SER  15           HB3      SER  15 -15.107  -7.142  -2.829
    5    HG   SER  15           HG       SER  15 -14.107  -9.740  -2.804

  No H/Q in entry =           5
  In of MODEL   38
    1    H    THR  16           H        THR  16 -15.518  -5.478  -5.469
    2    HA   THR  16           HA       THR  16 -18.202  -6.693  -5.636
    3    HB   THR  16           HB       THR  16 -17.453  -3.775  -5.940
    4    HG1  THR  16           HG1      THR  16 -18.561  -4.070  -3.662
    5   HG22  THR  16          HG21      THR  16 -19.916  -3.639  -5.103
    6   HG21  THR  16          HG22      THR  16 -20.015  -5.323  -5.623
    7   HG23  THR  16          HG23      THR  16 -19.621  -4.061  -6.791

  No H/Q in entry =           7
  In of MODEL   38
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   38
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   38
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   38
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   38
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   38
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   38
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   38
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   38
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   38
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   38
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   38
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   38
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   38
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   38
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   38
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   38
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   38
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   38
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   38
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   38
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   38
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   38
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   38
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   38
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   38
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   38
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   38
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   38
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   38
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   38
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   38
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   38
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   38
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   38
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   38
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   38
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   38
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   38
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   38
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   38
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   38
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   38
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   38
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   38
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   38
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   38
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   38
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   38
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   38
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   38
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   38
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   38
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   38
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   39
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.287 -14.282  -2.730
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.929  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.571 -11.557  -2.349
    6    HG3  GLU   5           HG3      GLU   5 -13.138 -11.876  -3.326

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   39
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   39
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   39
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.429   1.546
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.707   1.340
    5    HG2  MET   9           HG2      MET   9 -14.273  -6.798  -0.972
    6    HG3  MET   9           HG3      MET   9 -13.807  -8.488  -0.785
    7    HE1  MET   9           HE1      MET   9 -16.296  -5.882  -0.448
    8    HE3  MET   9           HE2      MET   9 -17.423  -6.783   0.561
    9    HE2  MET   9           HE3      MET   9 -17.808  -6.489  -1.128

  No H/Q in entry =           9
  In of MODEL   39
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   39
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.382   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.257  -6.176   0.965
    5   HG13  ILE  12          HG13      ILE  12  -9.695  -5.419  -0.554
    6   HG22  ILE  12          HG21      ILE  12  -8.737  -2.631   0.187
    7   HG21  ILE  12          HG22      ILE  12 -10.228  -2.035   0.919
    8   HG23  ILE  12          HG23      ILE  12 -10.283  -2.982  -0.573
    9   HD12  ILE  12          HD11      ILE  12  -7.163  -5.033   1.052
   10   HD11  ILE  12          HD12      ILE  12  -7.629  -3.974  -0.267
   11   HD13  ILE  12          HD13      ILE  12  -7.339  -5.681  -0.571

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.607   5.231
    4   HG12  ILE  13          HG12      ILE  13 -13.496  -3.058   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.922  -3.522   3.575
    6   HG22  ILE  13          HG21      ILE  13 -15.156  -1.875   5.701
    7   HG21  ILE  13          HG22      ILE  13 -13.899  -0.663   5.447
    8   HG23  ILE  13          HG23      ILE  13 -13.730  -1.852   6.740
    9   HD12  ILE  13          HD11      ILE  13 -14.941  -1.363   2.022
   10   HD11  ILE  13          HD12      ILE  13 -14.220  -0.618   3.443
   11   HD13  ILE  13          HD13      ILE  13 -15.805  -1.379   3.558

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   39
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   39
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   39
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   39
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   39
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   39
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   39
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   39
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   39
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   39
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   39
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   39
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   39
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   39
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   39
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   39
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   39
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.929  -6.676  10.545
    4    HB3  HIS  52           HB3      HIS  52  -1.123  -7.727  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.248 -10.000  11.923
    6    HD2  HIS  52           HD2      HIS  52   1.252  -7.316   8.896
    7    HE1  HIS  52           HE1      HIS  52   2.452 -10.796  10.962
    8    HE2  HIS  52           HE2      HIS  52   3.078  -9.169   9.115

  No H/Q in entry =           8
  In of MODEL   39
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   39
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   39
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   39
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.097 -14.215  10.983
    4    HG1  THR  56           HG1      THR  56   1.009 -12.551  10.780
    5   HG22  THR  56          HG21      THR  56   1.853 -14.292  10.498
    6   HG21  THR  56          HG22      THR  56   0.924 -15.702   9.993
    7   HG23  THR  56          HG23      THR  56   0.879 -15.174  11.673

  No H/Q in entry =           7
  In of MODEL   39
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   39
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.913
    4   HG12  ILE  59          HG12      ILE  59   2.392 -16.244   3.446
    5   HG13  ILE  59          HG13      ILE  59   1.136 -15.344   2.612
    6   HG21  ILE  59          HG21      ILE  59   1.120 -16.023   6.798
    7   HG23  ILE  59          HG22      ILE  59   2.388 -15.064   6.084
    8   HG22  ILE  59          HG23      ILE  59   2.287 -16.781   5.730
    9   HD11  ILE  59          HD11      ILE  59   1.883 -13.310   3.976
   10   HD13  ILE  59          HD12      ILE  59   2.989 -13.858   2.716
   11   HD12  ILE  59          HD13      ILE  59   3.307 -14.260   4.403

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   39
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   39
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   39
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   39
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   39
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   39
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   39
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   39
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LEU  74           H        LEU  74  -4.196 -13.632  -2.387
    2    HA   LEU  74           HA       LEU  74  -3.789 -12.458   0.114
    3    HB2  LEU  74           HB2      LEU  74  -2.870 -14.618  -0.577
    4    HB3  LEU  74           HB3      LEU  74  -1.840 -13.819  -1.760
    5    HG   LEU  74           HG       LEU  74  -0.734 -12.590   0.114
    6   HD11  LEU  74          HD11      LEU  74  -2.673 -14.275   1.685
    7   HD13  LEU  74          HD12      LEU  74  -2.295 -12.564   1.872
    8   HD12  LEU  74          HD13      LEU  74  -1.140 -13.786   2.407
    9   HD21  LEU  74          HD21      LEU  74  -0.068 -14.940  -0.886
   10   HD23  LEU  74          HD22      LEU  74  -0.586 -15.546   0.677
   11   HD22  LEU  74          HD23      LEU  74   0.722 -14.373   0.584

  No H/Q in entry =          11
  In of MODEL   39
    1    H    VAL  75           H        VAL  75  -2.689 -11.552  -3.043
    2    HA   VAL  75           HA       VAL  75  -0.714  -9.654  -2.229
    3    HB   VAL  75           HB       VAL  75  -2.234 -10.070  -4.814
    4   HG13  VAL  75          HG11      VAL  75  -1.715  -7.714  -4.715
    5   HG12  VAL  75          HG12      VAL  75  -0.543  -8.474  -5.789
    6   HG11  VAL  75          HG13      VAL  75  -0.082  -8.046  -4.143
    7   HG21  VAL  75          HG21      VAL  75  -0.552 -11.791  -4.202
    8   HG23  VAL  75          HG22      VAL  75   0.670 -10.531  -4.034
    9   HG22  VAL  75          HG23      VAL  75  -0.037 -10.866  -5.613

  No H/Q in entry =           9
  In of MODEL   39
    1    H    HIS  76           H        HIS  76  -4.404  -9.258  -3.358
    2    HA   HIS  76           HA       HIS  76  -4.724  -6.487  -3.171
    3    HB2  HIS  76           HB2      HIS  76  -6.469  -8.065  -4.051
    4    HB3  HIS  76           HB3      HIS  76  -6.820  -8.542  -2.395
    5    HD1  HIS  76           HD1      HIS  76  -6.047  -4.931  -2.773
    6    HD2  HIS  76           HD2      HIS  76  -9.488  -7.309  -2.911
    7    HE1  HIS  76           HE1      HIS  76  -8.033  -3.347  -2.608

  No H/Q in entry =           7
  In of MODEL   39
    1    H    ALA  77           H        ALA  77  -4.709  -8.948  -0.661
    2    HA   ALA  77           HA       ALA  77  -5.516  -7.107   1.427
    3    HB1  ALA  77           HB1      ALA  77  -4.767  -9.106   2.898
    4    HB3  ALA  77           HB2      ALA  77  -4.620  -9.979   1.374
    5    HB2  ALA  77           HB3      ALA  77  -6.180  -9.319   1.862

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLN  78           H        GLN  78  -2.467  -8.800   0.540
    2    HA   GLN  78           HA       GLN  78  -0.918  -7.717   2.617
    3    HB2  GLN  78           HB2      GLN  78  -0.351  -9.645   1.023
    4    HB3  GLN  78           HB3      GLN  78   0.152  -8.402  -0.122
    5    HG2  GLN  78           HG2      GLN  78   1.718  -7.503   1.572
    6    HG3  GLN  78           HG3      GLN  78   1.246  -8.790   2.678
    7   HE21  GLN  78          HE21      GLN  78   1.040 -10.350  -0.170
    8   HE22  GLN  78          HE22      GLN  78   2.632 -10.914  -0.334

  No H/Q in entry =           8
  In of MODEL   39
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   39
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.178
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.801   2.200
    5    HD1  HIS  80           HD1      HIS  80  -6.750  -0.988   1.171
    6    HD2  HIS  80           HD2      HIS  80  -5.002  -3.429  -1.722
    7    HE1  HIS  80           HE1      HIS  80  -7.618  -0.176  -1.073
    8    HE2  HIS  80           HE2      HIS  80  -6.558  -1.659  -2.846

  No H/Q in entry =           8
  In of MODEL   39
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   39
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   39
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   39
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   39
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   39
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   39
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   39
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   39
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   39
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   39
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.421 -20.431  -4.408
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.477
    5    HG2  GLU   5           HG2      GLU   5  10.902 -19.842  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.484 -19.335  -2.389

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   39
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   39
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   39
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.033 -16.708   0.854
    4    HB3  MET   9           HB3      MET   9  13.734 -16.162   2.505
    5    HG2  MET   9           HG2      MET   9  11.344 -16.590   2.255
    6    HG3  MET   9           HG3      MET   9  11.575 -17.035   0.563
    7    HE1  MET   9           HE1      MET   9  12.499 -17.439   4.053
    8    HE3  MET   9           HE2      MET   9  14.003 -18.308   3.761
    9    HE2  MET   9           HE3      MET   9  12.601 -19.172   4.386

  No H/Q in entry =           9
  In of MODEL   39
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   39
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.313
    4   HG12  ILE  12          HG12      ILE  12  10.854 -11.580  -0.010
    5   HG13  ILE  12          HG13      ILE  12   9.627 -12.249   1.048
    6   HG21  ILE  12          HG21      ILE  12   9.713  -9.777   3.046
    7   HG23  ILE  12          HG22      ILE  12  10.853 -10.566   4.135
    8   HG22  ILE  12          HG23      ILE  12   9.524 -11.485   3.432
    9   HD12  ILE  12          HD11      ILE  12   9.880  -9.412   0.049
   10   HD11  ILE  12          HD12      ILE  12   8.821  -9.858   1.375
   11   HD13  ILE  12          HD13      ILE  12   8.571 -10.553  -0.221

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.102 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.812 -12.622   4.661
    5   HG13  ILE  13          HG13      ILE  13  15.290 -13.528   4.963
    6   HG22  ILE  13          HG21      ILE  13  17.040 -11.966   6.242
    7   HG21  ILE  13          HG22      ILE  13  16.128 -10.511   6.641
    8   HG23  ILE  13          HG23      ILE  13  17.395 -10.449   5.415
    9   HD12  ILE  13          HD11      ILE  13  13.522 -13.064   6.912
   10   HD11  ILE  13          HD12      ILE  13  14.424 -11.555   7.034
   11   HD13  ILE  13          HD13      ILE  13  15.255 -13.097   7.233

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   39
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   39
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   39
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   39
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   39
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   39
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   39
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   39
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   39
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   39
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   39
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   39
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   39
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   39
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   39
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   39
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   39
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.292  -1.676  -5.697
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.629
    5    HD1  HIS  52           HD1      HIS  52  17.529  -1.909  -9.268
    6    HD2  HIS  52           HD2      HIS  52  14.008  -1.056  -7.206
    7    HE1  HIS  52           HE1      HIS  52  15.879  -1.061 -10.991
    8    HE2  HIS  52           HE2      HIS  52  13.727  -0.535  -9.750

  No H/Q in entry =           8
  In of MODEL   39
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   39
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   39
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   39
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.454 -12.060
    4    HG1  THR  56           HG1      THR  56  16.549  -3.109 -11.718
    5   HG22  THR  56          HG21      THR  56  16.196  -3.478 -13.605
    6   HG21  THR  56          HG22      THR  56  16.320  -5.107 -14.269
    7   HG23  THR  56          HG23      THR  56  17.778  -4.166 -13.966

  No H/Q in entry =           7
  In of MODEL   39
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   39
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.839  -7.161 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.891  -7.021 -14.835
    5   HG13  ILE  59          HG13      ILE  59   9.523  -7.858 -13.335
    6   HG21  ILE  59          HG21      ILE  59  13.404  -6.459 -14.321
    7   HG23  ILE  59          HG22      ILE  59  12.110  -5.313 -14.085
    8   HG22  ILE  59          HG23      ILE  59  12.070  -6.405 -15.460
    9   HD11  ILE  59          HD11      ILE  59  10.160  -5.687 -12.134
   10   HD13  ILE  59          HD12      ILE  59   8.650  -5.667 -13.044
   11   HD12  ILE  59          HD13      ILE  59  10.097  -4.923 -13.722

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   39
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   39
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   39
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   39
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   39
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   39
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   39
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   39
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LEU  74           H        LEU  74   6.935 -13.097  -8.616
    2    HA   LEU  74           HA       LEU  74   8.862 -11.143  -8.089
    3    HB2  LEU  74           HB2      LEU  74   8.173 -11.844 -10.331
    4    HB3  LEU  74           HB3      LEU  74   6.571 -11.163 -10.069
    5    HG   LEU  74           HG       LEU  74   7.631  -8.917  -9.790
    6   HD11  LEU  74          HD11      LEU  74  10.083 -10.568 -10.364
    7   HD13  LEU  74          HD12      LEU  74   9.849  -9.332  -9.129
    8   HD12  LEU  74          HD13      LEU  74  10.037  -8.866 -10.819
    9   HD21  LEU  74          HD21      LEU  74   6.801 -10.038 -12.031
   10   HD23  LEU  74          HD22      LEU  74   8.509 -10.076 -12.430
   11   HD22  LEU  74          HD23      LEU  74   7.720  -8.537 -12.106

  No H/Q in entry =          11
  In of MODEL   39
    1    H    VAL  75           H        VAL  75   5.400 -11.109  -7.729
    2    HA   VAL  75           HA       VAL  75   5.070  -8.345  -7.158
    3    HB   VAL  75           HB       VAL  75   3.418 -10.790  -6.493
    4   HG13  VAL  75          HG11      VAL  75   2.998  -9.172  -4.732
    5   HG12  VAL  75          HG12      VAL  75   1.629  -9.155  -5.842
    6   HG11  VAL  75          HG13      VAL  75   2.835  -7.872  -5.913
    7   HG21  VAL  75          HG21      VAL  75   3.510 -10.095  -8.872
    8   HG23  VAL  75          HG22      VAL  75   3.003  -8.469  -8.416
    9   HG22  VAL  75          HG23      VAL  75   1.904  -9.828  -8.195

  No H/Q in entry =           9
  In of MODEL   39
    1    H    HIS  76           H        HIS  76   5.565 -11.260  -4.980
    2    HA   HIS  76           HA       HIS  76   5.360  -9.952  -2.510
    3    HB2  HIS  76           HB2      HIS  76   5.565 -12.462  -2.937
    4    HB3  HIS  76           HB3      HIS  76   7.306 -12.194  -3.052
    5    HD1  HIS  76           HD1      HIS  76   5.305 -10.113  -0.685
    6    HD2  HIS  76           HD2      HIS  76   7.733 -13.498  -0.522
    7    HE1  HIS  76           HE1      HIS  76   5.793 -10.527   1.765

  No H/Q in entry =           7
  In of MODEL   39
    1    H    ALA  77           H        ALA  77   8.185 -10.454  -4.606
    2    HA   ALA  77           HA       ALA  77  10.018  -9.151  -2.850
    3    HB3  ALA  77           HB1      ALA  77  11.379  -8.980  -5.064
    4    HB2  ALA  77           HB2      ALA  77  10.084  -9.965  -5.743
    5    HB1  ALA  77           HB3      ALA  77  11.045 -10.579  -4.398

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLN  78           H        GLN  78   8.158  -8.070  -5.689
    2    HA   GLN  78           HA       GLN  78   9.276  -5.474  -5.809
    3    HB2  GLN  78           HB2      GLN  78   7.868  -6.720  -7.569
    4    HB3  GLN  78           HB3      GLN  78   6.465  -6.174  -6.652
    5    HG2  GLN  78           HG2      GLN  78   7.233  -3.836  -6.894
    6    HG3  GLN  78           HG3      GLN  78   8.603  -4.394  -7.852
    7   HE21  GLN  78          HE21      GLN  78   6.350  -6.539  -8.773
    8   HE22  GLN  78          HE22      GLN  78   5.625  -5.704 -10.062

  No H/Q in entry =           8
  In of MODEL   39
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   39
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.171  -7.451  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.037  -6.564   0.738
    5    HD1  HIS  80           HD1      HIS  80   9.412  -7.093   3.088
    6    HD2  HIS  80           HD2      HIS  80   6.426  -8.231   0.410
    7    HE1  HIS  80           HE1      HIS  80   7.628  -8.273   4.458
    8    HE2  HIS  80           HE2      HIS  80   5.802  -8.971   2.834

  No H/Q in entry =           8
  In of MODEL   39
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   39
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   39
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   39
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   39
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   39
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   39
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   39
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   39
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   39
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   39
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.105  -6.382 -21.732
    4    HB3  GLU   5           HB3      GLU   5   0.420  -5.149 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.482  -4.494 -21.789
    6    HG3  GLU   5           HG3      GLU   5   2.165  -5.685 -20.530

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   39
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   39
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   39
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.884   0.430 -20.999
    4    HB3  MET   9           HB3      MET   9   4.422   1.172 -20.554
    5    HG2  MET   9           HG2      MET   9   5.223  -0.950 -19.646
    6    HG3  MET   9           HG3      MET   9   3.663  -1.706 -19.971
    7    HE1  MET   9           HE1      MET   9   6.501   0.231 -21.146
    8    HE3  MET   9           HE2      MET   9   5.741   0.807 -22.628
    9    HE2  MET   9           HE3      MET   9   6.997  -0.427 -22.711

  No H/Q in entry =           9
  In of MODEL   39
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   39
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.478   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.669   0.275 -14.903
    5   HG13  ILE  12          HG13      ILE  12   4.217  -0.542 -14.946
    6   HG21  ILE  12          HG21      ILE  12   5.632   1.620 -13.089
    7   HG23  ILE  12          HG22      ILE  12   6.264   2.527 -14.463
    8   HG22  ILE  12          HG23      ILE  12   6.299   0.766 -14.480
    9   HD12  ILE  12          HD11      ILE  12   2.820   0.669 -12.562
   10   HD11  ILE  12          HD12      ILE  12   4.508   0.189 -12.531
   11   HD13  ILE  12          HD13      ILE  12   3.258  -1.010 -12.832

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.811 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.827   3.928 -17.792
    5   HG13  ILE  13          HG13      ILE  13   5.627   4.708 -19.358
    6   HG22  ILE  13          HG21      ILE  13   5.852   7.351 -19.064
    7   HG21  ILE  13          HG22      ILE  13   6.371   7.576 -17.394
    8   HG23  ILE  13          HG23      ILE  13   4.742   8.044 -17.882
    9   HD12  ILE  13          HD11      ILE  13   8.039   4.427 -18.242
   10   HD11  ILE  13          HD12      ILE  13   7.569   5.926 -17.442
   11   HD13  ILE  13          HD13      ILE  13   7.630   5.848 -19.202

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   39
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   39
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   39
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   39
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   39
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   39
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   39
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   39
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   39
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   39
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   39
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   39
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   39
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   39
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   39
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   39
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   39
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.014  -8.738
    4    HB3  HIS  52           HB3      HIS  52  -7.508   7.705  -9.500
    5    HD1  HIS  52           HD1      HIS  52  -9.765   6.332  -9.232
    6    HD2  HIS  52           HD2      HIS  52  -6.606   4.994  -6.866
    7    HE1  HIS  52           HE1      HIS  52 -10.776   4.802  -7.493
    8    HE2  HIS  52           HE2      HIS  52  -8.864   3.981  -6.033

  No H/Q in entry =           8
  In of MODEL   39
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   39
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   39
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   39
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.896   3.590 -12.098
    4    HG1  THR  56           HG1      THR  56 -11.430   3.956  -9.476
    5   HG22  THR  56          HG21      THR  56 -12.954   2.768  -9.437
    6   HG21  THR  56          HG22      THR  56 -13.315   1.682 -10.778
    7   HG23  THR  56          HG23      THR  56 -13.809   3.371 -10.857

  No H/Q in entry =           7
  In of MODEL   39
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   39
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.671  -1.964 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.918  -4.318  -8.990
    5   HG13  ILE  59          HG13      ILE  59  -9.340  -4.430  -9.752
    6   HG23  ILE  59          HG21      ILE  59 -11.946  -1.133 -10.323
    7   HG22  ILE  59          HG22      ILE  59 -11.491  -1.666  -8.726
    8   HG21  ILE  59          HG23      ILE  59 -12.544  -2.665  -9.713
    9   HD11  ILE  59          HD11      ILE  59  -8.772  -2.279  -8.417
   10   HD13  ILE  59          HD12      ILE  59  -8.817  -3.811  -7.547
   11   HD12  ILE  59          HD13      ILE  59 -10.181  -2.699  -7.442

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   39
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   39
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   39
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   39
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   39
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   39
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   39
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   39
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LEU  74           H        LEU  74  -3.293  -7.030 -13.317
    2    HA   LEU  74           HA       LEU  74  -3.870  -4.371 -12.695
    3    HB2  LEU  74           HB2      LEU  74  -5.516  -6.190 -12.710
    4    HB3  LEU  74           HB3      LEU  74  -4.723  -6.942 -11.331
    5    HG   LEU  74           HG       LEU  74  -5.220  -4.888  -9.995
    6   HD11  LEU  74          HD11      LEU  74  -6.514  -4.125 -12.604
    7   HD13  LEU  74          HD12      LEU  74  -5.475  -3.155 -11.562
    8   HD12  LEU  74          HD13      LEU  74  -7.140  -3.486 -11.086
    9   HD21  LEU  74          HD21      LEU  74  -6.743  -7.024 -10.289
   10   HD23  LEU  74          HD22      LEU  74  -7.797  -5.928 -11.165
   11   HD22  LEU  74          HD23      LEU  74  -7.401  -5.602  -9.482

  No H/Q in entry =          11
  In of MODEL   39
    1    H    VAL  75           H        VAL  75  -2.144  -6.811 -10.919
    2    HA   VAL  75           HA       VAL  75  -1.887  -5.435  -8.448
    3    HB   VAL  75           HB       VAL  75  -0.270  -7.640  -9.732
    4   HG13  VAL  75          HG11      VAL  75   1.261  -6.391  -8.315
    5   HG12  VAL  75          HG12      VAL  75   0.811  -7.875  -7.477
    6   HG11  VAL  75          HG13      VAL  75   0.074  -6.342  -7.012
    7   HG21  VAL  75          HG21      VAL  75  -2.559  -8.204  -8.946
    8   HG23  VAL  75          HG22      VAL  75  -2.165  -7.564  -7.350
    9   HG22  VAL  75          HG23      VAL  75  -1.333  -8.995  -7.957

  No H/Q in entry =           9
  In of MODEL   39
    1    H    HIS  76           H        HIS  76   0.308  -5.620 -11.382
    2    HA   HIS  76           HA       HIS  76   2.417  -4.068 -10.377
    3    HB2  HIS  76           HB2      HIS  76   2.271  -5.379 -12.600
    4    HB3  HIS  76           HB3      HIS  76   1.540  -3.912 -13.251
    5    HD1  HIS  76           HD1      HIS  76   3.421  -2.903 -14.584
    6    HD2  HIS  76           HD2      HIS  76   4.646  -4.033 -10.764
    7    HE1  HIS  76           HE1      HIS  76   5.791  -2.052 -14.311

  No H/Q in entry =           7
  In of MODEL   39
    1    H    ALA  77           H        ALA  77  -0.539  -3.087 -12.094
    2    HA   ALA  77           HA       ALA  77   0.108  -0.309 -12.113
    3    HB2  ALA  77           HB1      ALA  77  -2.469  -0.138 -12.463
    4    HB3  ALA  77           HB2      ALA  77  -2.410  -1.897 -12.551
    5    HB1  ALA  77           HB3      ALA  77  -1.499  -0.928 -13.708

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLN  78           H        GLN  78  -1.838  -2.354  -9.948
    2    HA   GLN  78           HA       GLN  78  -2.782  -0.240  -8.315
    3    HB2  GLN  78           HB2      GLN  78  -3.625  -2.667  -8.471
    4    HB3  GLN  78           HB3      GLN  78  -2.309  -3.066  -7.367
    5    HG2  GLN  78           HG2      GLN  78  -3.169  -1.390  -5.763
    6    HG3  GLN  78           HG3      GLN  78  -4.511  -1.050  -6.853
    7   HE21  GLN  78          HE21      GLN  78  -4.128  -4.222  -7.404
    8   HE22  GLN  78          HE22      GLN  78  -5.111  -4.878  -6.187

  No H/Q in entry =           8
  In of MODEL   39
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   39
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.313   0.895 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.972   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.419   2.762 -10.654
    6    HD2  HIS  80           HD2      HIS  80   4.375  -1.184  -9.812
    7    HE1  HIS  80           HE1      HIS  80   7.547   1.393 -10.874
    8    HE2  HIS  80           HE2      HIS  80   6.922  -1.017 -10.364

  No H/Q in entry =           8
  In of MODEL   39
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   39
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   39
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   39
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   39
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   39
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   39
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   39
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   39
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   39
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   39
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   39
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   39
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   39
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   39
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   39
    1    H    PHE   9           H        PHE   9 -21.286   0.643  -3.910
    2    HA   PHE   9           HA       PHE   9 -18.529   1.546  -4.532
    3    HB2  PHE   9           HB2      PHE   9 -20.365   2.457  -2.310
    4    HB3  PHE   9           HB3      PHE   9 -18.657   2.880  -2.431
    5    HD1  PHE   9           HD1      PHE   9 -22.008   3.491  -3.708
    6    HD2  PHE   9           HD2      PHE   9 -17.830   4.218  -4.376
    7    HE1  PHE   9           HE1      PHE   9 -22.579   5.333  -5.265
    8    HE2  PHE   9           HE2      PHE   9 -18.401   6.060  -5.937
    9    HZ   PHE   9           HZ       PHE   9 -20.776   6.617  -6.382

  No H/Q in entry =           9
  In of MODEL   39
    1    H    CYS  10           H        CYS  10 -16.922   0.946  -3.205
    2    HA   CYS  10           HA       CYS  10 -17.184  -0.698  -0.860
    3    HB2  CYS  10           HB2      CYS  10 -16.131  -2.678  -1.630
    4    HB3  CYS  10           HB3      CYS  10 -17.321  -2.302  -2.880

  No H/Q in entry =           4
  In of MODEL   39
    1    H    SER  11           H        SER  11 -14.472  -1.424  -0.360
    2    HA   SER  11           HA       SER  11 -13.435   1.156   0.008
    3    HB2  SER  11           HB2      SER  11 -12.147  -1.560   0.120
    4    HB3  SER  11           HB3      SER  11 -11.207  -0.104   0.373
    5    HG   SER  11           HG       SER  11 -13.143  -1.287   1.948

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA  12           H        ALA  12 -12.216  -1.341  -2.359
    2    HA   ALA  12           HA       ALA  12 -10.829   0.891  -3.689
    3    HB1  ALA  12           HB1      ALA  12 -10.094  -1.825  -3.024
    4    HB3  ALA  12           HB2      ALA  12  -9.076  -0.510  -3.609
    5    HB2  ALA  12           HB3      ALA  12  -9.924  -1.545  -4.757

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLY  13           H        GLY  13 -13.039  -1.795  -4.222
    2    HA3  GLY  13           HA2      GLY  13 -14.812  -1.496  -5.852
    3    HA2  GLY  13           HA3      GLY  13 -13.642  -0.686  -6.887

  No H/Q in entry =           3
  In of MODEL   39
    1    H    MET  14           H        MET  14 -12.720  -3.642  -5.180
    2    HA   MET  14           HA       MET  14 -12.567  -4.939  -7.822
    3    HB2  MET  14           HB2      MET  14 -10.476  -4.667  -6.443
    4    HB3  MET  14           HB3      MET  14 -11.172  -5.807  -5.290
    5    HG2  MET  14           HG2      MET  14 -11.547  -7.269  -7.473
    6    HG3  MET  14           HG3      MET  14 -10.222  -6.284  -8.091
    7    HE3  MET  14           HE1      MET  14  -7.857  -7.231  -7.949
    8    HE2  MET  14           HE2      MET  14  -7.151  -7.253  -6.336
    9    HE1  MET  14           HE3      MET  14  -8.079  -5.853  -6.865

  No H/Q in entry =           9
  In of MODEL   39
    1    H    SER  15           H        SER  15 -12.856  -6.284  -4.550
    2    HA   SER  15           HA       SER  15 -14.079  -8.635  -5.206
    3    HB2  SER  15           HB2      SER  15 -13.432  -7.708  -2.875
    4    HB3  SER  15           HB3      SER  15 -15.095  -7.122  -2.826
    5    HG   SER  15           HG       SER  15 -14.095  -9.739  -2.911

  No H/Q in entry =           5
  In of MODEL   39
    1    H    THR  16           H        THR  16 -15.517  -5.465  -5.466
    2    HA   THR  16           HA       THR  16 -18.200  -6.681  -5.634
    3    HB   THR  16           HB       THR  16 -17.448  -3.764  -5.942
    4    HG1  THR  16           HG1      THR  16 -16.884  -4.281  -3.902
    5   HG23  THR  16          HG21      THR  16 -19.613  -4.038  -6.797
    6   HG22  THR  16          HG22      THR  16 -19.916  -3.632  -5.107
    7   HG21  THR  16          HG23      THR  16 -20.011  -5.310  -5.641

  No H/Q in entry =           7
  In of MODEL   39
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   39
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   39
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   39
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   39
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   39
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   39
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   39
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   39
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   39
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   39
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   39
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   39
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   39
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   39
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   39
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   39
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   39
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   39
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   39
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   39
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   39
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   39
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.437   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.053  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.794  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.016  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.010

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   39
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   39
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   39
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   39
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   39
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   39
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   39
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   39
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   39
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   39
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   39
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   39
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   39
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   39
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   39
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   39
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   39
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   39
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   39
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   39
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   39
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   39
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   39
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   39
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   39
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   39
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   39
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   39
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   39
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   39
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   39
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   40
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.288 -14.283  -2.729
    4    HB3  GLU   5           HB3      GLU   5 -14.695 -13.928  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.586 -11.564  -2.357
    6    HG3  GLU   5           HG3      GLU   5 -13.134 -11.867  -3.311

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   40
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   40
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   40
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.710  -8.426   1.550
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.705   1.335
    5    HG2  MET   9           HG2      MET   9 -14.258  -6.812  -0.976
    6    HG3  MET   9           HG3      MET   9 -13.815  -8.507  -0.778
    7    HE3  MET   9           HE1      MET   9 -17.428  -6.753   0.544
    8    HE2  MET   9           HE2      MET   9 -17.773  -6.451  -1.155
    9    HE1  MET   9           HE3      MET   9 -16.271  -5.869  -0.455

  No H/Q in entry =           9
  In of MODEL   40
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   40
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.960  -4.304   1.270
    4   HG12  ILE  12          HG12      ILE  12  -9.584  -6.246   0.918
    5   HG13  ILE  12          HG13      ILE  12  -9.612  -5.353  -0.590
    6   HG21  ILE  12          HG21      ILE  12  -8.627  -2.657   0.288
    7   HG23  ILE  12          HG22      ILE  12 -10.214  -2.055   0.772
    8   HG22  ILE  12          HG23      ILE  12 -10.045  -3.071  -0.665
    9   HD11  ILE  12          HD11      ILE  12  -7.397  -4.315   0.203
   10   HD13  ILE  12          HD12      ILE  12  -7.359  -6.006  -0.264
   11   HD12  ILE  12          HD13      ILE  12  -7.404  -5.564   1.437

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.494  -3.065   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.922  -3.524   3.577
    6   HG22  ILE  13          HG21      ILE  13 -15.152  -1.901   5.728
    7   HG21  ILE  13          HG22      ILE  13 -13.934  -0.663   5.419
    8   HG23  ILE  13          HG23      ILE  13 -13.704  -1.819   6.731
    9   HD13  ILE  13          HD11      ILE  13 -15.801  -1.373   3.550
   10   HD12  ILE  13          HD12      ILE  13 -14.940  -1.377   2.016
   11   HD11  ILE  13          HD13      ILE  13 -14.211  -0.621   3.430

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   40
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   40
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   40
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   40
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   40
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   40
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   40
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   40
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   40
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   40
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   40
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   40
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   40
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   40
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   40
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   40
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   40
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.935  -6.673  10.552
    4    HB3  HIS  52           HB3      HIS  52  -1.119  -7.735  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.206 -10.064  11.824
    6    HD2  HIS  52           HD2      HIS  52   1.298  -7.232   8.968
    7    HE1  HIS  52           HE1      HIS  52   2.423 -10.829  10.869
    8    HE2  HIS  52           HE2      HIS  52   3.103  -9.112   9.126

  No H/Q in entry =           8
  In of MODEL   40
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   40
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   40
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   40
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.097 -14.214  10.983
    4    HG1  THR  56           HG1      THR  56  -0.648 -12.170  11.046
    5   HG22  THR  56          HG21      THR  56   1.852 -14.294  10.501
    6   HG21  THR  56          HG22      THR  56   0.923 -15.703   9.992
    7   HG23  THR  56          HG23      THR  56   0.876 -15.176  11.673

  No H/Q in entry =           7
  In of MODEL   40
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   40
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.309 -14.610   4.766
    4   HG12  ILE  59          HG12      ILE  59   2.493 -16.404   3.691
    5   HG13  ILE  59          HG13      ILE  59   1.359 -15.561   2.647
    6   HG22  ILE  59          HG21      ILE  59   2.588 -16.027   5.826
    7   HG21  ILE  59          HG22      ILE  59   1.124 -16.607   6.576
    8   HG23  ILE  59          HG23      ILE  59   1.528 -14.899   6.652
    9   HD11  ILE  59          HD11      ILE  59   2.047 -13.444   4.018
   10   HD13  ILE  59          HD12      ILE  59   3.130 -14.040   2.760
   11   HD12  ILE  59          HD13      ILE  59   3.460 -14.407   4.453

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   40
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   40
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   40
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   40
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   40
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   40
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   40
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   40
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LEU  74           H        LEU  74  -4.300 -13.687  -2.336
    2    HA   LEU  74           HA       LEU  74  -3.898 -12.580   0.171
    3    HB2  LEU  74           HB2      LEU  74  -3.005 -14.732  -0.508
    4    HB3  LEU  74           HB3      LEU  74  -1.968 -13.963  -1.703
    5    HG   LEU  74           HG       LEU  74  -0.786 -12.779   0.138
    6   HD12  LEU  74          HD11      LEU  74  -1.224 -13.879   2.457
    7   HD11  LEU  74          HD12      LEU  74  -2.777 -14.352   1.770
    8   HD13  LEU  74          HD13      LEU  74  -2.353 -12.645   1.900
    9   HD22  LEU  74          HD21      LEU  74   0.590 -14.634   0.637
   10   HD21  LEU  74          HD22      LEU  74  -0.247 -15.172  -0.808
   11   HD23  LEU  74          HD23      LEU  74  -0.786 -15.726   0.772

  No H/Q in entry =          11
  In of MODEL   40
    1    H    VAL  75           H        VAL  75  -2.617 -11.623  -2.913
    2    HA   VAL  75           HA       VAL  75  -0.668  -9.793  -1.887
    3    HB   VAL  75           HB       VAL  75  -1.974  -9.915  -4.624
    4   HG12  VAL  75          HG11      VAL  75   0.438  -8.857  -5.089
    5   HG11  VAL  75          HG12      VAL  75   0.221  -8.277  -3.438
    6   HG13  VAL  75          HG13      VAL  75  -0.952  -7.853  -4.683
    7   HG22  VAL  75          HG21      VAL  75  -0.881 -12.003  -4.315
    8   HG21  VAL  75          HG22      VAL  75   0.451 -11.270  -3.423
    9   HG23  VAL  75          HG23      VAL  75   0.310 -11.015  -5.161

  No H/Q in entry =           9
  In of MODEL   40
    1    H    HIS  76           H        HIS  76  -4.278  -9.366  -3.208
    2    HA   HIS  76           HA       HIS  76  -4.580  -6.587  -3.105
    3    HB2  HIS  76           HB2      HIS  76  -6.320  -8.089  -4.033
    4    HB3  HIS  76           HB3      HIS  76  -6.686  -8.663  -2.412
    5    HD1  HIS  76           HD1      HIS  76  -5.982  -5.085  -2.274
    6    HD2  HIS  76           HD2      HIS  76  -9.353  -7.386  -3.198
    7    HE1  HIS  76           HE1      HIS  76  -7.988  -3.525  -2.130

  No H/Q in entry =           7
  In of MODEL   40
    1    H    ALA  77           H        ALA  77  -4.656  -8.980  -0.562
    2    HA   ALA  77           HA       ALA  77  -5.495  -7.090   1.475
    3    HB2  ALA  77           HB1      ALA  77  -4.758  -9.096   2.982
    4    HB1  ALA  77           HB2      ALA  77  -4.689  -9.983   1.460
    5    HB3  ALA  77           HB3      ALA  77  -6.206  -9.255   1.987

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLN  78           H        GLN  78  -2.467  -8.754   0.551
    2    HA   GLN  78           HA       GLN  78  -0.896  -7.688   2.647
    3    HB2  GLN  78           HB2      GLN  78  -0.347  -9.637   1.078
    4    HB3  GLN  78           HB3      GLN  78   0.135  -8.414  -0.097
    5    HG2  GLN  78           HG2      GLN  78   1.722  -7.480   1.564
    6    HG3  GLN  78           HG3      GLN  78   1.279  -8.762   2.688
    7   HE21  GLN  78          HE21      GLN  78   3.161 -10.061   2.701
    8   HE22  GLN  78          HE22      GLN  78   3.852 -10.734   1.305

  No H/Q in entry =           8
  In of MODEL   40
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   40
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.202   1.172
    4    HB3  HIS  80           HB3      HIS  80  -5.388  -2.807   2.203
    5    HD1  HIS  80           HD1      HIS  80  -6.514  -0.811   1.152
    6    HD2  HIS  80           HD2      HIS  80  -5.241  -3.585  -1.688
    7    HE1  HIS  80           HE1      HIS  80  -7.444  -0.032  -1.079
    8    HE2  HIS  80           HE2      HIS  80  -6.674  -1.718  -2.820

  No H/Q in entry =           8
  In of MODEL   40
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   40
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   40
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   40
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   40
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   40
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   40
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   40
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   40
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   40
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   40
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.447 -20.445  -4.422
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.878  -3.445
    5    HG2  GLU   5           HG2      GLU   5  10.839 -19.814  -1.481
    6    HG3  GLU   5           HG3      GLU   5   9.445 -19.331  -2.446

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   40
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   40
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   40
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.036 -16.707   0.857
    4    HB3  MET   9           HB3      MET   9  13.730 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.338 -16.588   2.240
    6    HG3  MET   9           HG3      MET   9  11.585 -17.044   0.554
    7    HE3  MET   9           HE1      MET   9  13.983 -18.315   3.792
    8    HE2  MET   9           HE2      MET   9  12.551 -19.139   4.407
    9    HE1  MET   9           HE3      MET   9  12.483 -17.415   4.048

  No H/Q in entry =           9
  In of MODEL   40
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   40
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.684 -11.944   2.340
    4   HG12  ILE  12          HG12      ILE  12  10.819 -12.031   0.164
    5   HG13  ILE  12          HG13      ILE  12   9.371 -11.934   1.145
    6   HG21  ILE  12          HG21      ILE  12   9.695  -9.761   2.999
    7   HG23  ILE  12          HG22      ILE  12  10.807 -10.542   4.123
    8   HG22  ILE  12          HG23      ILE  12   9.490 -11.464   3.399
    9   HD11  ILE  12          HD11      ILE  12   9.490  -9.402   0.729
   10   HD13  ILE  12          HD12      ILE  12   9.045 -10.412  -0.635
   11   HD12  ILE  12          HD13      ILE  12  10.684  -9.790  -0.500

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.813 -12.623   4.657
    5   HG13  ILE  13          HG13      ILE  13  15.291 -13.528   4.963
    6   HG22  ILE  13          HG21      ILE  13  17.068 -11.964   6.213
    7   HG21  ILE  13          HG22      ILE  13  16.119 -10.548   6.661
    8   HG23  ILE  13          HG23      ILE  13  17.372 -10.416   5.427
    9   HD13  ILE  13          HD11      ILE  13  15.244 -13.100   7.237
   10   HD12  ILE  13          HD12      ILE  13  13.514 -13.059   6.902
   11   HD11  ILE  13          HD13      ILE  13  14.423 -11.554   7.032

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   40
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   40
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   40
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   40
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   40
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   40
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   40
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   40
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   40
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   40
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   40
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   40
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   40
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   40
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   40
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   40
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   40
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.300  -1.676  -5.693
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.638
    5    HD1  HIS  52           HD1      HIS  52  17.466  -2.016  -9.291
    6    HD2  HIS  52           HD2      HIS  52  14.042  -0.948  -7.166
    7    HE1  HIS  52           HE1      HIS  52  15.811  -1.139 -10.994
    8    HE2  HIS  52           HE2      HIS  52  13.718  -0.482  -9.715

  No H/Q in entry =           8
  In of MODEL   40
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   40
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   40
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   40
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.454 -12.058
    4    HG1  THR  56           HG1      THR  56  17.402  -4.056 -10.557
    5   HG22  THR  56          HG21      THR  56  16.200  -3.478 -13.606
    6   HG21  THR  56          HG22      THR  56  16.318  -5.107 -14.269
    7   HG23  THR  56          HG23      THR  56  17.780  -4.171 -13.968

  No H/Q in entry =           7
  In of MODEL   40
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   40
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.739  -7.191 -12.504
    4   HG12  ILE  59          HG12      ILE  59  10.034  -6.946 -14.989
    5   HG13  ILE  59          HG13      ILE  59   9.499  -7.809 -13.555
    6   HG22  ILE  59          HG21      ILE  59  11.980  -5.360 -14.320
    7   HG21  ILE  59          HG22      ILE  59  12.582  -6.641 -15.340
    8   HG23  ILE  59          HG23      ILE  59  13.434  -6.229 -13.860
    9   HD11  ILE  59          HD11      ILE  59  10.145  -5.644 -12.273
   10   HD13  ILE  59          HD12      ILE  59   8.651  -5.646 -13.209
   11   HD12  ILE  59          HD13      ILE  59  10.098  -4.879 -13.861

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   40
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   40
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   40
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   40
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   40
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   40
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   40
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   40
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LEU  74           H        LEU  74   7.018 -13.172  -8.615
    2    HA   LEU  74           HA       LEU  74   8.964 -11.251  -8.135
    3    HB2  LEU  74           HB2      LEU  74   8.311 -11.974 -10.360
    4    HB3  LEU  74           HB3      LEU  74   6.696 -11.309 -10.138
    5    HG   LEU  74           HG       LEU  74   7.703  -9.041  -9.929
    6   HD12  LEU  74          HD11      LEU  74  10.130  -8.951 -10.862
    7   HD11  LEU  74          HD12      LEU  74  10.215 -10.647 -10.391
    8   HD13  LEU  74          HD13      LEU  74   9.910  -9.408  -9.174
    9   HD22  LEU  74          HD21      LEU  74   7.855  -8.746 -12.268
   10   HD21  LEU  74          HD22      LEU  74   6.978 -10.261 -12.145
   11   HD23  LEU  74          HD23      LEU  74   8.703 -10.275 -12.490

  No H/Q in entry =          11
  In of MODEL   40
    1    H    VAL  75           H        VAL  75   5.491 -11.038  -7.862
    2    HA   VAL  75           HA       VAL  75   5.358  -8.236  -7.350
    3    HB   VAL  75           HB       VAL  75   3.437 -10.457  -6.588
    4   HG12  VAL  75          HG11      VAL  75   1.858  -8.329  -6.757
    5   HG11  VAL  75          HG12      VAL  75   3.344  -7.473  -6.346
    6   HG13  VAL  75          HG13      VAL  75   2.708  -8.707  -5.259
    7   HG22  VAL  75          HG21      VAL  75   3.563 -10.452  -8.956
    8   HG21  VAL  75          HG22      VAL  75   3.747  -8.701  -9.031
    9   HG23  VAL  75          HG23      VAL  75   2.188  -9.404  -8.609

  No H/Q in entry =           9
  In of MODEL   40
    1    H    HIS  76           H        HIS  76   5.556 -11.168  -5.156
    2    HA   HIS  76           HA       HIS  76   5.269  -9.881  -2.690
    3    HB2  HIS  76           HB2      HIS  76   5.458 -12.400  -3.171
    4    HB3  HIS  76           HB3      HIS  76   7.205 -12.151  -3.119
    5    HD1  HIS  76           HD1      HIS  76   7.819 -13.110  -0.871
    6    HD2  HIS  76           HD2      HIS  76   4.577 -10.500  -0.624
    7    HE1  HIS  76           HE1      HIS  76   7.328 -12.809   1.595

  No H/Q in entry =           7
  In of MODEL   40
    1    H    ALA  77           H        ALA  77   8.183 -10.427  -4.648
    2    HA   ALA  77           HA       ALA  77   9.959  -9.151  -2.808
    3    HB3  ALA  77           HB1      ALA  77  11.378  -8.968  -5.013
    4    HB2  ALA  77           HB2      ALA  77  10.125 -10.017  -5.674
    5    HB1  ALA  77           HB3      ALA  77  11.081 -10.550  -4.292

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLN  78           H        GLN  78   8.166  -8.065  -5.670
    2    HA   GLN  78           HA       GLN  78   9.291  -5.467  -5.791
    3    HB2  GLN  78           HB2      GLN  78   7.915  -6.699  -7.572
    4    HB3  GLN  78           HB3      GLN  78   6.493  -6.197  -6.660
    5    HG2  GLN  78           HG2      GLN  78   7.220  -3.838  -6.859
    6    HG3  GLN  78           HG3      GLN  78   8.597  -4.358  -7.829
    7   HE21  GLN  78          HE21      GLN  78   8.037  -3.598  -9.908
    8   HE22  GLN  78          HE22      GLN  78   6.591  -3.998 -10.702

  No H/Q in entry =           8
  In of MODEL   40
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   40
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.163  -7.454  -0.516
    4    HB3  HIS  80           HB3      HIS  80  10.041  -6.565   0.731
    5    HD1  HIS  80           HD1      HIS  80   9.273  -6.824   3.119
    6    HD2  HIS  80           HD2      HIS  80   6.581  -8.483   0.401
    7    HE1  HIS  80           HE1      HIS  80   7.533  -8.063   4.494
    8    HE2  HIS  80           HE2      HIS  80   5.885  -9.078   2.846

  No H/Q in entry =           8
  In of MODEL   40
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   40
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   40
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   40
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   40
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   40
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   40
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   40
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   40
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   40
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   40
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.104  -6.381 -21.733
    4    HB3  GLU   5           HB3      GLU   5   0.422  -5.148 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.486  -4.502 -21.803
    6    HG3  GLU   5           HG3      GLU   5   2.162  -5.669 -20.525

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   40
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   40
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   40
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.433 -21.000
    4    HB3  MET   9           HB3      MET   9   4.424   1.170 -20.553
    5    HG2  MET   9           HG2      MET   9   5.213  -0.958 -19.639
    6    HG3  MET   9           HG3      MET   9   3.654  -1.707 -19.982
    7    HE3  MET   9           HE1      MET   9   5.779   0.800 -22.631
    8    HE2  MET   9           HE2      MET   9   7.033  -0.439 -22.654
    9    HE1  MET   9           HE3      MET   9   6.497   0.234 -21.116

  No H/Q in entry =           9
  In of MODEL   40
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   40
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.501   1.702 -15.883
    4   HG12  ILE  12          HG12      ILE  12   2.904   0.092 -15.285
    5   HG13  ILE  12          HG13      ILE  12   4.366  -0.535 -14.553
    6   HG21  ILE  12          HG21      ILE  12   5.595   1.597 -13.063
    7   HG23  ILE  12          HG22      ILE  12   6.269   2.499 -14.421
    8   HG22  ILE  12          HG23      ILE  12   6.280   0.737 -14.442
    9   HD11  ILE  12          HD11      ILE  12   3.585   0.663 -12.421
   10   HD13  ILE  12          HD12      ILE  12   2.679  -0.758 -12.913
   11   HD12  ILE  12          HD13      ILE  12   2.044   0.848 -13.243

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.811 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.826   3.928 -17.793
    5   HG13  ILE  13          HG13      ILE  13   5.627   4.709 -19.359
    6   HG22  ILE  13          HG21      ILE  13   5.808   7.363 -19.077
    7   HG21  ILE  13          HG22      ILE  13   6.400   7.557 -17.427
    8   HG23  ILE  13          HG23      ILE  13   4.758   8.049 -17.837
    9   HD13  ILE  13          HD11      ILE  13   7.639   5.841 -19.200
   10   HD12  ILE  13          HD12      ILE  13   8.033   4.421 -18.233
   11   HD11  ILE  13          HD13      ILE  13   7.569   5.926 -17.440

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   40
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   40
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   40
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   40
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   40
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   40
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   40
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   40
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   40
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   40
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   40
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   40
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   40
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   40
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   40
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   40
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   40
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.023  -8.743
    4    HB3  HIS  52           HB3      HIS  52  -7.517   7.699  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.745   6.223  -9.280
    6    HD2  HIS  52           HD2      HIS  52  -6.593   5.087  -6.800
    7    HE1  HIS  52           HE1      HIS  52 -10.736   4.709  -7.515
    8    HE2  HIS  52           HE2      HIS  52  -8.829   4.011  -5.987

  No H/Q in entry =           8
  In of MODEL   40
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   40
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   40
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   40
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.896   3.590 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.579   4.603 -10.821
    5   HG22  THR  56          HG21      THR  56 -12.955   2.769  -9.438
    6   HG21  THR  56          HG22      THR  56 -13.315   1.681 -10.779
    7   HG23  THR  56          HG23      THR  56 -13.809   3.371 -10.858

  No H/Q in entry =           7
  In of MODEL   40
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   40
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.612  -2.033 -10.386
    4   HG12  ILE  59          HG12      ILE  59 -11.091  -4.284  -9.019
    5   HG13  ILE  59          HG13      ILE  59  -9.471  -4.480  -9.668
    6   HG22  ILE  59          HG21      ILE  59 -11.614  -1.803  -8.730
    7   HG21  ILE  59          HG22      ILE  59 -12.577  -2.393 -10.059
    8   HG23  ILE  59          HG23      ILE  59 -11.676  -0.896 -10.230
    9   HD11  ILE  59          HD11      ILE  59  -9.019  -2.251  -8.296
   10   HD13  ILE  59          HD12      ILE  59  -8.941  -3.830  -7.518
   11   HD12  ILE  59          HD13      ILE  59 -10.389  -2.838  -7.353

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   40
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   40
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   40
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   40
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   40
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   40
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   40
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   40
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LEU  74           H        LEU  74  -3.314  -7.006 -13.431
    2    HA   LEU  74           HA       LEU  74  -3.942  -4.371 -12.846
    3    HB2  LEU  74           HB2      LEU  74  -5.585  -6.164 -12.894
    4    HB3  LEU  74           HB3      LEU  74  -4.815  -6.954 -11.523
    5    HG   LEU  74           HG       LEU  74  -5.354  -4.963 -10.125
    6   HD12  LEU  74          HD11      LEU  74  -7.209  -3.486 -11.198
    7   HD11  LEU  74          HD12      LEU  74  -6.578  -4.076 -12.735
    8   HD13  LEU  74          HD13      LEU  74  -5.534  -3.167 -11.644
    9   HD22  LEU  74          HD21      LEU  74  -7.554  -5.699  -9.702
   10   HD21  LEU  74          HD22      LEU  74  -6.889  -7.063 -10.585
   11   HD23  LEU  74          HD23      LEU  74  -7.912  -5.897 -11.416

  No H/Q in entry =          11
  In of MODEL   40
    1    H    VAL  75           H        VAL  75  -2.315  -6.758 -10.893
    2    HA   VAL  75           HA       VAL  75  -2.196  -5.225  -8.494
    3    HB   VAL  75           HB       VAL  75  -0.408  -7.481  -9.440
    4   HG12  VAL  75          HG11      VAL  75  -0.248  -7.645  -6.794
    5   HG11  VAL  75          HG12      VAL  75  -0.610  -5.922  -6.889
    6   HG13  VAL  75          HG13      VAL  75   0.818  -6.568  -7.697
    7   HG22  VAL  75          HG21      VAL  75  -2.610  -8.367  -9.282
    8   HG21  VAL  75          HG22      VAL  75  -3.001  -7.369  -7.881
    9   HG23  VAL  75          HG23      VAL  75  -1.891  -8.727  -7.713

  No H/Q in entry =           9
  In of MODEL   40
    1    H    HIS  76           H        HIS  76   0.134  -5.656 -11.287
    2    HA   HIS  76           HA       HIS  76   2.281  -4.177 -10.285
    3    HB2  HIS  76           HB2      HIS  76   2.026  -5.504 -12.526
    4    HB3  HIS  76           HB3      HIS  76   1.507  -3.947 -13.173
    5    HD1  HIS  76           HD1      HIS  76   3.310  -2.295 -13.733
    6    HD2  HIS  76           HD2      HIS  76   4.715  -5.352 -11.273
    7    HE1  HIS  76           HE1      HIS  76   5.815  -1.970 -13.546

  No H/Q in entry =           7
  In of MODEL   40
    1    H    ALA  77           H        ALA  77  -0.586  -3.080 -12.078
    2    HA   ALA  77           HA       ALA  77   0.166  -0.326 -12.084
    3    HB3  ALA  77           HB1      ALA  77  -2.428  -0.094 -12.449
    4    HB2  ALA  77           HB2      ALA  77  -2.364  -1.848 -12.622
    5    HB1  ALA  77           HB3      ALA  77  -1.430  -0.822 -13.709

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLN  78           H        GLN  78  -1.832  -2.331  -9.950
    2    HA   GLN  78           HA       GLN  78  -2.774  -0.215  -8.314
    3    HB2  GLN  78           HB2      GLN  78  -3.650  -2.620  -8.476
    4    HB3  GLN  78           HB3      GLN  78  -2.323  -3.057  -7.400
    5    HG2  GLN  78           HG2      GLN  78  -3.133  -1.386  -5.759
    6    HG3  GLN  78           HG3      GLN  78  -4.494  -1.027  -6.819
    7   HE21  GLN  78          HE21      GLN  78  -6.248  -1.932  -5.671
    8   HE22  GLN  78          HE22      GLN  78  -6.318  -3.554  -5.177

  No H/Q in entry =           8
  In of MODEL   40
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   40
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.319   0.887 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.962   2.519 -10.293
    5    HD1  HIS  80           HD1      HIS  80   5.463   2.810 -10.361
    6    HD2  HIS  80           HD2      HIS  80   4.345  -1.197 -10.100
    7    HE1  HIS  80           HE1      HIS  80   7.588   1.449 -10.652
    8    HE2  HIS  80           HE2      HIS  80   6.918  -0.997 -10.496

  No H/Q in entry =           8
  In of MODEL   40
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   40
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   40
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   40
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   40
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   40
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   40
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   40
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   40
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   40
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   40
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   40
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   40
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   40
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   40
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   40
    1    H    PHE   9           H        PHE   9 -21.280   0.629  -3.915
    2    HA   PHE   9           HA       PHE   9 -18.523   1.521  -4.557
    3    HB2  PHE   9           HB2      PHE   9 -20.327   2.416  -2.302
    4    HB3  PHE   9           HB3      PHE   9 -18.618   2.829  -2.438
    5    HD1  PHE   9           HD1      PHE   9 -21.980   3.468  -3.681
    6    HD2  PHE   9           HD2      PHE   9 -17.804   4.196  -4.363
    7    HE1  PHE   9           HE1      PHE   9 -22.556   5.333  -5.208
    8    HE2  PHE   9           HE2      PHE   9 -18.380   6.061  -5.894
    9    HZ   PHE   9           HZ       PHE   9 -20.757   6.630  -6.316

  No H/Q in entry =           9
  In of MODEL   40
    1    H    CYS  10           H        CYS  10 -16.902   0.850  -3.299
    2    HA   CYS  10           HA       CYS  10 -17.223  -0.949  -1.037
    3    HB2  CYS  10           HB2      CYS  10 -16.017  -2.776  -1.906
    4    HB3  CYS  10           HB3      CYS  10 -17.074  -2.321  -3.246

  No H/Q in entry =           4
  In of MODEL   40
    1    H    SER  11           H        SER  11 -14.222  -1.625  -0.882
    2    HA   SER  11           HA       SER  11 -13.523   1.084  -0.110
    3    HB2  SER  11           HB2      SER  11 -12.169  -1.580   0.106
    4    HB3  SER  11           HB3      SER  11 -11.231  -0.116   0.317
    5    HG   SER  11           HG       SER  11 -12.129   0.144   2.193

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA  12           H        ALA  12 -12.082  -1.311  -2.407
    2    HA   ALA  12           HA       ALA  12 -10.681   0.943  -3.680
    3    HB2  ALA  12           HB1      ALA  12  -9.769  -1.490  -4.761
    4    HB1  ALA  12           HB2      ALA  12  -9.946  -1.772  -3.030
    5    HB3  ALA  12           HB3      ALA  12  -8.927  -0.455  -3.608

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLY  13           H        GLY  13 -12.727  -1.858  -4.357
    2    HA3  GLY  13           HA2      GLY  13 -14.540  -1.458  -5.993
    3    HA2  GLY  13           HA3      GLY  13 -13.313  -0.731  -7.024

  No H/Q in entry =           3
  In of MODEL   40
    1    H    MET  14           H        MET  14 -12.625  -3.724  -5.190
    2    HA   MET  14           HA       MET  14 -12.479  -5.051  -7.822
    3    HB2  MET  14           HB2      MET  14 -10.415  -4.821  -6.312
    4    HB3  MET  14           HB3      MET  14 -11.169  -6.060  -5.309
    5    HG2  MET  14           HG2      MET  14 -11.449  -7.333  -7.595
    6    HG3  MET  14           HG3      MET  14 -10.149  -6.269  -8.127
    7    HE2  MET  14           HE1      MET  14  -7.096  -7.170  -6.280
    8    HE1  MET  14           HE2      MET  14  -8.085  -5.836  -6.867
    9    HE3  MET  14           HE3      MET  14  -7.671  -7.160  -7.952

  No H/Q in entry =           9
  In of MODEL   40
    1    H    SER  15           H        SER  15 -12.819  -6.371  -4.555
    2    HA   SER  15           HA       SER  15 -14.110  -8.676  -5.202
    3    HB2  SER  15           HB2      SER  15 -13.448  -7.756  -2.871
    4    HB3  SER  15           HB3      SER  15 -15.100  -7.140  -2.827
    5    HG   SER  15           HG       SER  15 -14.240  -9.819  -3.217

  No H/Q in entry =           5
  In of MODEL   40
    1    H    THR  16           H        THR  16 -15.510  -5.462  -5.469
    2    HA   THR  16           HA       THR  16 -18.194  -6.675  -5.630
    3    HB   THR  16           HB       THR  16 -17.438  -3.759  -5.944
    4    HG1  THR  16           HG1      THR  16 -16.852  -4.531  -3.896
    5   HG23  THR  16          HG21      THR  16 -19.604  -4.048  -6.804
    6   HG22  THR  16          HG22      THR  16 -19.901  -3.607  -5.121
    7   HG21  THR  16          HG23      THR  16 -20.007  -5.295  -5.623

  No H/Q in entry =           7
  In of MODEL   40
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   40
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   40
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   40
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   40
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   40
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   40
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   40
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   40
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   40
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   40
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   40
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   40
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   40
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   40
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   40
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   40
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   40
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   40
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   40
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   40
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   40
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   40
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.016  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.010

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   40
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   40
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   40
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   40
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   40
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   40
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   40
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   40
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   40
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   40
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   40
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   40
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   40
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   40
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   40
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   40
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   40
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   40
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   40
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   40
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   40
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   40
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   40
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   40
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   40
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   40
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   40
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   40
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   40
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   40
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   40
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   41
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.304 -14.311  -2.707
    4    HB3  GLU   5           HB3      GLU   5 -14.710 -13.892  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.791 -12.529  -3.714
    6    HG3  GLU   5           HG3      GLU   5 -14.338 -11.480  -2.371

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   41
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   41
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   41
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.712  -8.424   1.553
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.703   1.332
    5    HG2  MET   9           HG2      MET   9 -14.264  -6.817  -0.978
    6    HG3  MET   9           HG3      MET   9 -13.808  -8.508  -0.775
    7    HE3  MET   9           HE1      MET   9 -17.309  -6.644   0.505
    8    HE2  MET   9           HE2      MET   9 -17.847  -6.545  -1.169
    9    HE1  MET   9           HE3      MET   9 -16.298  -5.856  -0.709

  No H/Q in entry =           9
  In of MODEL   41
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   41
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.961  -4.299   1.270
    4   HG12  ILE  12          HG12      ILE  12  -9.600  -6.248   0.917
    5   HG13  ILE  12          HG13      ILE  12  -9.609  -5.353  -0.590
    6   HG23  ILE  12          HG21      ILE  12 -10.198  -2.056   0.778
    7   HG22  ILE  12          HG22      ILE  12 -10.044  -3.047  -0.674
    8   HG21  ILE  12          HG23      ILE  12  -8.621  -2.674   0.307
    9   HD12  ILE  12          HD11      ILE  12  -7.389  -5.594   1.437
   10   HD11  ILE  12          HD12      ILE  12  -7.412  -4.314   0.237
   11   HD13  ILE  12          HD13      ILE  12  -7.374  -5.997  -0.272

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.604   5.237
    4   HG12  ILE  13          HG12      ILE  13 -13.491  -3.074   2.667
    5   HG13  ILE  13          HG13      ILE  13 -14.921  -3.528   3.578
    6   HG22  ILE  13          HG21      ILE  13 -15.158  -1.874   5.695
    7   HG21  ILE  13          HG22      ILE  13 -13.905  -0.660   5.434
    8   HG23  ILE  13          HG23      ILE  13 -13.734  -1.840   6.735
    9   HD12  ILE  13          HD11      ILE  13 -14.941  -1.384   2.009
   10   HD11  ILE  13          HD12      ILE  13 -14.207  -0.626   3.417
   11   HD13  ILE  13          HD13      ILE  13 -15.795  -1.378   3.550

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   41
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   41
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   41
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   41
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   41
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   41
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   41
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   41
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   41
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   41
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   41
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   41
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   41
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   41
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   41
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   41
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   41
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   41
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   41
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.976  -6.657  10.606
    4    HB3  HIS  52           HB3      HIS  52  -1.083  -7.795  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.231 -10.145  11.545
    6    HD2  HIS  52           HD2      HIS  52   1.295  -6.987   9.041
    7    HE1  HIS  52           HE1      HIS  52   2.458 -10.769  10.513
    8    HE2  HIS  52           HE2      HIS  52   3.121  -8.853   8.984

  No H/Q in entry =           8
  In of MODEL   41
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   41
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   41
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   41
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.218  10.983
    4    HG1  THR  56           HG1      THR  56  -0.627 -12.189  11.102
    5   HG21  THR  56          HG21      THR  56   0.956 -15.684   9.974
    6   HG23  THR  56          HG22      THR  56   0.877 -15.192  11.665
    7   HG22  THR  56          HG23      THR  56   1.844 -14.263  10.523

  No H/Q in entry =           7
  In of MODEL   41
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   41
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.635   4.916
    4   HG12  ILE  59          HG12      ILE  59   2.373 -16.253   3.427
    5   HG13  ILE  59          HG13      ILE  59   1.131 -15.314   2.614
    6   HG23  ILE  59          HG21      ILE  59   2.366 -15.071   6.111
    7   HG22  ILE  59          HG22      ILE  59   2.309 -16.760   5.684
    8   HG21  ILE  59          HG23      ILE  59   1.122 -16.101   6.797
    9   HD11  ILE  59          HD11      ILE  59   1.931 -13.329   4.045
   10   HD13  ILE  59          HD12      ILE  59   2.982 -13.846   2.727
   11   HD12  ILE  59          HD13      ILE  59   3.353 -14.315   4.385

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   41
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   41
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   41
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   41
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   41
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   41
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   41
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   41
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LEU  74           H        LEU  74  -4.296 -13.682  -2.349
    2    HA   LEU  74           HA       LEU  74  -3.884 -12.595   0.163
    3    HB2  LEU  74           HB2      LEU  74  -2.974 -14.730  -0.514
    4    HB3  LEU  74           HB3      LEU  74  -1.977 -13.962  -1.745
    5    HG   LEU  74           HG       LEU  74  -0.719 -12.784   0.021
    6   HD13  LEU  74          HD11      LEU  74  -2.210 -12.517   1.816
    7   HD12  LEU  74          HD12      LEU  74  -1.139 -13.789   2.399
    8   HD11  LEU  74          HD13      LEU  74  -2.732 -14.201   1.763
    9   HD23  LEU  74          HD21      LEU  74  -0.735 -15.679   0.851
   10   HD22  LEU  74          HD22      LEU  74   0.627 -14.631   0.501
   11   HD21  LEU  74          HD23      LEU  74  -0.340 -15.279  -0.818

  No H/Q in entry =          11
  In of MODEL   41
    1    H    VAL  75           H        VAL  75  -2.640 -11.589  -2.924
    2    HA   VAL  75           HA       VAL  75  -0.698  -9.756  -1.878
    3    HB   VAL  75           HB       VAL  75  -1.988  -9.868  -4.623
    4   HG13  VAL  75          HG11      VAL  75  -0.963  -7.811  -4.677
    5   HG12  VAL  75          HG12      VAL  75   0.441  -8.809  -5.053
    6   HG11  VAL  75          HG13      VAL  75   0.186  -8.230  -3.408
    7   HG22  VAL  75          HG21      VAL  75  -0.877 -11.975  -4.170
    8   HG21  VAL  75          HG22      VAL  75   0.529 -11.148  -3.499
    9   HG23  VAL  75          HG23      VAL  75   0.180 -11.034  -5.223

  No H/Q in entry =           9
  In of MODEL   41
    1    H    HIS  76           H        HIS  76  -4.302  -9.348  -3.220
    2    HA   HIS  76           HA       HIS  76  -4.636  -6.578  -3.114
    3    HB2  HIS  76           HB2      HIS  76  -6.365  -8.113  -4.022
    4    HB3  HIS  76           HB3      HIS  76  -6.721  -8.666  -2.391
    5    HD1  HIS  76           HD1      HIS  76  -6.038  -5.073  -2.347
    6    HD2  HIS  76           HD2      HIS  76  -9.403  -7.428  -3.147
    7    HE1  HIS  76           HE1      HIS  76  -8.057  -3.528  -2.208

  No H/Q in entry =           7
  In of MODEL   41
    1    H    ALA  77           H        ALA  77  -4.669  -8.964  -0.556
    2    HA   ALA  77           HA       ALA  77  -5.505  -7.065   1.477
    3    HB3  ALA  77           HB1      ALA  77  -6.216  -9.223   1.996
    4    HB2  ALA  77           HB2      ALA  77  -4.770  -9.061   2.992
    5    HB1  ALA  77           HB3      ALA  77  -4.700  -9.962   1.479

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLN  78           H        GLN  78  -2.483  -8.755   0.565
    2    HA   GLN  78           HA       GLN  78  -0.902  -7.689   2.645
    3    HB2  GLN  78           HB2      GLN  78  -0.375  -9.635   1.051
    4    HB3  GLN  78           HB3      GLN  78   0.136  -8.400  -0.098
    5    HG2  GLN  78           HG2      GLN  78   1.726  -7.518   1.578
    6    HG3  GLN  78           HG3      GLN  78   1.239  -8.787   2.699
    7   HE21  GLN  78          HE21      GLN  78   0.961 -10.554   0.086
    8   HE22  GLN  78          HE22      GLN  78   2.558 -11.067  -0.173

  No H/Q in entry =           8
  In of MODEL   41
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   41
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.180
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.799   2.199
    5    HD1  HIS  80           HD1      HIS  80  -6.483  -0.792   1.123
    6    HD2  HIS  80           HD2      HIS  80  -5.266  -3.630  -1.678
    7    HE1  HIS  80           HE1      HIS  80  -7.416  -0.037  -1.115
    8    HE2  HIS  80           HE2      HIS  80  -6.681  -1.763  -2.832

  No H/Q in entry =           8
  In of MODEL   41
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   41
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   41
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   41
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   41
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   41
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   41
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   41
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   41
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   41
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   41
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   41
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.454 -20.449  -4.426
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.876  -3.436
    5    HG2  GLU   5           HG2      GLU   5   9.906 -21.076  -2.035
    6    HG3  GLU   5           HG3      GLU   5  10.771 -19.627  -1.526

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   41
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   41
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   41
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.039 -16.706   0.859
    4    HB3  MET   9           HB3      MET   9  13.727 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.338 -16.592   2.237
    6    HG3  MET   9           HG3      MET   9  11.587 -17.043   0.549
    7    HE3  MET   9           HE1      MET   9  13.882 -18.159   3.827
    8    HE2  MET   9           HE2      MET   9  12.603 -19.240   4.374
    9    HE1  MET   9           HE3      MET   9  12.252 -17.534   4.107

  No H/Q in entry =           9
  In of MODEL   41
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   41
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.683 -11.934   2.371
    4   HG12  ILE  12          HG12      ILE  12  10.867 -12.076   0.180
    5   HG13  ILE  12          HG13      ILE  12   9.395 -11.958   1.123
    6   HG23  ILE  12          HG21      ILE  12  10.759 -10.516   4.104
    7   HG22  ILE  12          HG22      ILE  12   9.448 -11.434   3.363
    8   HG21  ILE  12          HG23      ILE  12   9.685  -9.738   2.945
    9   HD12  ILE  12          HD11      ILE  12  10.738  -9.816  -0.522
   10   HD11  ILE  12          HD12      ILE  12   9.503  -9.448   0.669
   11   HD13  ILE  12          HD13      ILE  12   9.122 -10.484  -0.700

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.105 -11.633   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.813 -12.622   4.652
    5   HG13  ILE  13          HG13      ILE  13  15.291 -13.529   4.956
    6   HG22  ILE  13          HG21      ILE  13  17.037 -11.969   6.243
    7   HG21  ILE  13          HG22      ILE  13  16.121 -10.517   6.647
    8   HG23  ILE  13          HG23      ILE  13  17.390 -10.448   5.424
    9   HD12  ILE  13          HD11      ILE  13  13.517 -13.072   6.901
   10   HD11  ILE  13          HD12      ILE  13  14.415 -11.561   7.030
   11   HD13  ILE  13          HD13      ILE  13  15.249 -13.102   7.228

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   41
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   41
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   41
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   41
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   41
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   41
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   41
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   41
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   41
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   41
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   41
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   41
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   41
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   41
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   41
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   41
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   41
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   41
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   41
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.363  -1.676  -5.663
    4    HB3  HIS  52           HB3      HIS  52  17.780  -1.775  -6.708
    5    HD1  HIS  52           HD1      HIS  52  17.215  -2.155  -9.344
    6    HD2  HIS  52           HD2      HIS  52  14.075  -0.795  -6.964
    7    HE1  HIS  52           HE1      HIS  52  15.467  -1.231 -10.926
    8    HE2  HIS  52           HE2      HIS  52  13.546  -0.396  -9.490

  No H/Q in entry =           8
  In of MODEL   41
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   41
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   41
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   41
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.063
    4    HG1  THR  56           HG1      THR  56  17.444  -4.030 -10.586
    5   HG21  THR  56          HG21      THR  56  16.288  -5.083 -14.269
    6   HG23  THR  56          HG22      THR  56  17.774  -4.181 -13.980
    7   HG22  THR  56          HG23      THR  56  16.217  -3.462 -13.580

  No H/Q in entry =           7
  In of MODEL   41
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   41
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.842  -7.161 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.884  -7.047 -14.831
    5   HG13  ILE  59          HG13      ILE  59   9.523  -7.846 -13.309
    6   HG23  ILE  59          HG21      ILE  59  12.148  -5.323 -14.081
    7   HG22  ILE  59          HG22      ILE  59  12.017  -6.397 -15.449
    8   HG21  ILE  59          HG23      ILE  59  13.414  -6.498 -14.390
    9   HD11  ILE  59          HD11      ILE  59  10.203  -5.634 -12.180
   10   HD13  ILE  59          HD12      ILE  59   8.659  -5.662 -13.032
   11   HD12  ILE  59          HD13      ILE  59  10.070  -4.923 -13.788

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   41
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   41
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   41
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   41
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   41
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   41
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   41
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   41
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LEU  74           H        LEU  74   7.005 -13.175  -8.612
    2    HA   LEU  74           HA       LEU  74   8.955 -11.255  -8.156
    3    HB2  LEU  74           HB2      LEU  74   8.296 -11.956 -10.375
    4    HB3  LEU  74           HB3      LEU  74   6.666 -11.339 -10.132
    5    HG   LEU  74           HG       LEU  74   7.571  -9.046  -9.961
    6   HD13  LEU  74          HD11      LEU  74   9.758  -9.272  -9.135
    7   HD12  LEU  74          HD12      LEU  74  10.031  -8.868 -10.828
    8   HD11  LEU  74          HD13      LEU  74  10.169 -10.541 -10.287
    9   HD23  LEU  74          HD21      LEU  74   8.744 -10.187 -12.489
   10   HD22  LEU  74          HD22      LEU  74   7.722  -8.778 -12.275
   11   HD21  LEU  74          HD23      LEU  74   7.020 -10.389 -12.188

  No H/Q in entry =          11
  In of MODEL   41
    1    H    VAL  75           H        VAL  75   5.483 -11.035  -7.844
    2    HA   VAL  75           HA       VAL  75   5.368  -8.234  -7.317
    3    HB   VAL  75           HB       VAL  75   3.440 -10.448  -6.553
    4   HG13  VAL  75          HG11      VAL  75   2.716  -8.705  -5.218
    5   HG12  VAL  75          HG12      VAL  75   1.879  -8.294  -6.714
    6   HG11  VAL  75          HG13      VAL  75   3.378  -7.470  -6.288
    7   HG22  VAL  75          HG21      VAL  75   3.677 -10.367  -8.957
    8   HG21  VAL  75          HG22      VAL  75   3.624  -8.605  -8.960
    9   HG23  VAL  75          HG23      VAL  75   2.178  -9.528  -8.559

  No H/Q in entry =           9
  In of MODEL   41
    1    H    HIS  76           H        HIS  76   5.569 -11.181  -5.145
    2    HA   HIS  76           HA       HIS  76   5.299  -9.930  -2.665
    3    HB2  HIS  76           HB2      HIS  76   5.613 -12.461  -3.288
    4    HB3  HIS  76           HB3      HIS  76   7.322 -12.113  -3.018
    5    HD1  HIS  76           HD1      HIS  76   8.101 -11.977  -0.630
    6    HD2  HIS  76           HD2      HIS  76   3.944 -11.836  -0.925
    7    HE1  HIS  76           HE1      HIS  76   7.211 -12.086   1.738

  No H/Q in entry =           7
  In of MODEL   41
    1    H    ALA  77           H        ALA  77   8.215 -10.429  -4.633
    2    HA   ALA  77           HA       ALA  77   9.974  -9.131  -2.793
    3    HB1  ALA  77           HB1      ALA  77  11.105 -10.526  -4.269
    4    HB3  ALA  77           HB2      ALA  77  11.403  -8.943  -4.985
    5    HB2  ALA  77           HB3      ALA  77  10.161  -9.995  -5.662

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLN  78           H        GLN  78   8.185  -8.066  -5.669
    2    HA   GLN  78           HA       GLN  78   9.288  -5.462  -5.795
    3    HB2  GLN  78           HB2      GLN  78   7.896  -6.726  -7.556
    4    HB3  GLN  78           HB3      GLN  78   6.485  -6.182  -6.649
    5    HG2  GLN  78           HG2      GLN  78   7.236  -3.843  -6.901
    6    HG3  GLN  78           HG3      GLN  78   8.622  -4.393  -7.839
    7   HE21  GLN  78          HE21      GLN  78   6.625  -6.587  -8.929
    8   HE22  GLN  78          HE22      GLN  78   5.813  -5.755 -10.166

  No H/Q in entry =           8
  In of MODEL   41
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   41
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.173  -7.449  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.036  -6.564   0.741
    5    HD1  HIS  80           HD1      HIS  80   9.224  -6.804   3.122
    6    HD2  HIS  80           HD2      HIS  80   6.608  -8.523   0.368
    7    HE1  HIS  80           HE1      HIS  80   7.481  -8.064   4.474
    8    HE2  HIS  80           HE2      HIS  80   5.880  -9.116   2.804

  No H/Q in entry =           8
  In of MODEL   41
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   41
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   41
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   41
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   41
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   41
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   41
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   41
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   41
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   41
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   41
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   41
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.080  -6.375 -21.760
    4    HB3  GLU   5           HB3      GLU   5   0.453  -5.129 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.545  -6.103 -22.267
    6    HG3  GLU   5           HG3      GLU   5   2.454  -4.503 -21.537

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   41
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   41
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   41
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.437 -21.000
    4    HB3  MET   9           HB3      MET   9   4.427   1.168 -20.551
    5    HG2  MET   9           HG2      MET   9   5.210  -0.963 -19.643
    6    HG3  MET   9           HG3      MET   9   3.647  -1.707 -19.982
    7    HE3  MET   9           HE1      MET   9   5.829   0.815 -22.455
    8    HE2  MET   9           HE2      MET   9   6.997  -0.468 -22.760
    9    HE1  MET   9           HE3      MET   9   6.656   0.029 -21.104

  No H/Q in entry =           9
  In of MODEL   41
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   41
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.503   1.704 -15.882
    4   HG12  ILE  12          HG12      ILE  12   2.950   0.062 -15.325
    5   HG13  ILE  12          HG13      ILE  12   4.373  -0.526 -14.491
    6   HG23  ILE  12          HG21      ILE  12   6.267   2.498 -14.423
    7   HG22  ILE  12          HG22      ILE  12   6.281   0.734 -14.429
    8   HG21  ILE  12          HG23      ILE  12   5.591   1.605 -13.061
    9   HD12  ILE  12          HD11      ILE  12   1.999   0.920 -13.314
   10   HD11  ILE  12          HD12      ILE  12   3.497   0.669 -12.435
   11   HD13  ILE  12          HD13      ILE  12   2.554  -0.712 -12.979

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.815 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.819   3.925 -17.792
    5   HG13  ILE  13          HG13      ILE  13   5.620   4.706 -19.358
    6   HG22  ILE  13          HG21      ILE  13   5.849   7.350 -19.067
    7   HG21  ILE  13          HG22      ILE  13   6.383   7.567 -17.401
    8   HG23  ILE  13          HG23      ILE  13   4.754   8.046 -17.873
    9   HD12  ILE  13          HD11      ILE  13   8.033   4.415 -18.247
   10   HD11  ILE  13          HD12      ILE  13   7.570   5.914 -17.442
   11   HD13  ILE  13          HD13      ILE  13   7.628   5.840 -19.203

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   41
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   41
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   41
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   41
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   41
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   41
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   41
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   41
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   41
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   41
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   41
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   41
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   41
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   41
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   41
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   41
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   41
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   41
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   41
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.081  -8.778
    4    HB3  HIS  52           HB3      HIS  52  -7.575   7.666  -9.493
    5    HD1  HIS  52           HD1      HIS  52  -9.667   5.927  -9.279
    6    HD2  HIS  52           HD2      HIS  52  -6.459   5.291  -6.696
    7    HE1  HIS  52           HE1      HIS  52 -10.522   4.423  -7.437
    8    HE2  HIS  52           HE2      HIS  52  -8.581   4.029  -5.845

  No H/Q in entry =           8
  In of MODEL   41
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   41
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   41
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   41
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.901   3.587 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.630   4.639 -10.819
    5   HG21  THR  56          HG21      THR  56 -13.307   1.674 -10.739
    6   HG23  THR  56          HG22      THR  56 -13.815   3.358 -10.859
    7   HG22  THR  56          HG23      THR  56 -12.939   2.802  -9.435

  No H/Q in entry =           7
  In of MODEL   41
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   41
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.668  -1.968 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.921  -4.342  -9.021
    5   HG13  ILE  59          HG13      ILE  59  -9.317  -4.409  -9.734
    6   HG22  ILE  59          HG21      ILE  59 -11.502  -1.651  -8.745
    7   HG21  ILE  59          HG22      ILE  59 -12.526  -2.683  -9.709
    8   HG23  ILE  59          HG23      ILE  59 -11.981  -1.143 -10.354
    9   HD11  ILE  59          HD11      ILE  59  -8.874  -2.237  -8.358
   10   HD13  ILE  59          HD12      ILE  59  -8.846  -3.792  -7.529
   11   HD12  ILE  59          HD13      ILE  59 -10.270  -2.759  -7.416

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   41
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   41
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   41
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   41
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   41
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   41
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   41
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   41
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LEU  74           H        LEU  74  -3.307  -7.019 -13.420
    2    HA   LEU  74           HA       LEU  74  -3.956  -4.389 -12.839
    3    HB2  LEU  74           HB2      LEU  74  -5.594  -6.174 -12.866
    4    HB3  LEU  74           HB3      LEU  74  -4.795  -6.987 -11.527
    5    HG   LEU  74           HG       LEU  74  -5.332  -5.073 -10.058
    6   HD13  LEU  74          HD11      LEU  74  -5.450  -3.195 -11.462
    7   HD12  LEU  74          HD12      LEU  74  -7.146  -3.497 -11.086
    8   HD11  LEU  74          HD13      LEU  74  -6.481  -4.012 -12.635
    9   HD23  LEU  74          HD21      LEU  74  -7.934  -5.827 -11.376
   10   HD22  LEU  74          HD22      LEU  74  -7.518  -5.798  -9.671
   11   HD21  LEU  74          HD23      LEU  74  -6.930  -7.104 -10.692

  No H/Q in entry =          11
  In of MODEL   41
    1    H    VAL  75           H        VAL  75  -2.300  -6.758 -10.883
    2    HA   VAL  75           HA       VAL  75  -2.170  -5.204  -8.496
    3    HB   VAL  75           HB       VAL  75  -0.385  -7.467  -9.432
    4   HG13  VAL  75          HG11      VAL  75   0.849  -6.546  -7.700
    5   HG12  VAL  75          HG12      VAL  75  -0.222  -7.601  -6.778
    6   HG11  VAL  75          HG13      VAL  75  -0.574  -5.878  -6.902
    7   HG22  VAL  75          HG21      VAL  75  -2.678  -8.236  -9.261
    8   HG21  VAL  75          HG22      VAL  75  -2.906  -7.383  -7.734
    9   HG23  VAL  75          HG23      VAL  75  -1.833  -8.779  -7.812

  No H/Q in entry =           9
  In of MODEL   41
    1    H    HIS  76           H        HIS  76   0.125  -5.645 -11.313
    2    HA   HIS  76           HA       HIS  76   2.294  -4.179 -10.344
    3    HB2  HIS  76           HB2      HIS  76   2.038  -5.498 -12.568
    4    HB3  HIS  76           HB3      HIS  76   1.441  -3.970 -13.217
    5    HD1  HIS  76           HD1      HIS  76   3.211  -1.923 -11.921
    6    HD2  HIS  76           HD2      HIS  76   4.705  -5.556 -13.316
    7    HE1  HIS  76           HE1      HIS  76   5.689  -1.575 -12.312

  No H/Q in entry =           7
  In of MODEL   41
    1    H    ALA  77           H        ALA  77  -0.591  -3.062 -12.086
    2    HA   ALA  77           HA       ALA  77   0.177  -0.309 -12.080
    3    HB1  ALA  77           HB1      ALA  77  -1.417  -0.790 -13.704
    4    HB2  ALA  77           HB2      ALA  77  -2.412  -0.059 -12.445
    5    HB3  ALA  77           HB3      ALA  77  -2.367  -1.813 -12.625

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLN  78           H        GLN  78  -1.839  -2.319  -9.963
    2    HA   GLN  78           HA       GLN  78  -2.774  -0.217  -8.312
    3    HB2  GLN  78           HB2      GLN  78  -3.623  -2.642  -8.491
    4    HB3  GLN  78           HB3      GLN  78  -2.312  -3.051  -7.385
    5    HG2  GLN  78           HG2      GLN  78  -3.174  -1.393  -5.769
    6    HG3  GLN  78           HG3      GLN  78  -4.505  -1.027  -6.864
    7   HE21  GLN  78          HE21      GLN  78  -4.370  -4.105  -7.571
    8   HE22  GLN  78          HE22      GLN  78  -5.273  -4.805  -6.316

  No H/Q in entry =           8
  In of MODEL   41
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   41
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.313   0.895 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.972   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.483   2.787 -10.315
    6    HD2  HIS  80           HD2      HIS  80   4.312  -1.210 -10.149
    7    HE1  HIS  80           HE1      HIS  80   7.593   1.406 -10.621
    8    HE2  HIS  80           HE2      HIS  80   6.890  -1.035 -10.523

  No H/Q in entry =           8
  In of MODEL   41
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   41
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   41
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   41
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   41
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   41
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   41
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   41
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   41
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   41
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   41
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   41
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   41
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   41
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   41
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   41
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   41
    1    H    PHE   9           H        PHE   9 -21.280   0.635  -3.906
    2    HA   PHE   9           HA       PHE   9 -18.522   1.528  -4.538
    3    HB2  PHE   9           HB2      PHE   9 -20.341   2.447  -2.305
    4    HB3  PHE   9           HB3      PHE   9 -18.633   2.863  -2.438
    5    HD1  PHE   9           HD1      PHE   9 -21.991   3.473  -3.708
    6    HD2  PHE   9           HD2      PHE   9 -17.814   4.213  -4.371
    7    HE1  PHE   9           HE1      PHE   9 -22.565   5.317  -5.261
    8    HE2  PHE   9           HE2      PHE   9 -18.388   6.057  -5.927
    9    HZ   PHE   9           HZ       PHE   9 -20.764   6.610  -6.372

  No H/Q in entry =           9
  In of MODEL   41
    1    H    CYS  10           H        CYS  10 -16.915   0.922  -3.218
    2    HA   CYS  10           HA       CYS  10 -17.187  -0.749  -0.886
    3    HB2  CYS  10           HB2      CYS  10 -16.121  -2.703  -1.665
    4    HB3  CYS  10           HB3      CYS  10 -17.239  -2.301  -2.972

  No H/Q in entry =           4
  In of MODEL   41
    1    H    SER  11           H        SER  11 -14.445  -1.434  -0.362
    2    HA   SER  11           HA       SER  11 -13.468   1.184   0.021
    3    HB2  SER  11           HB2      SER  11 -11.201  -0.164   0.320
    4    HB3  SER  11           HB3      SER  11 -12.472  -0.257   1.521
    5    HG   SER  11           HG       SER  11 -13.076  -2.024  -0.308

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA  12           H        ALA  12 -12.181  -1.343  -2.284
    2    HA   ALA  12           HA       ALA  12 -10.787   0.887  -3.606
    3    HB2  ALA  12           HB1      ALA  12  -9.930  -1.552  -4.708
    4    HB1  ALA  12           HB2      ALA  12 -10.081  -1.846  -2.976
    5    HB3  ALA  12           HB3      ALA  12  -9.053  -0.538  -3.562

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLY  13           H        GLY  13 -12.905  -1.889  -4.236
    2    HA3  GLY  13           HA2      GLY  13 -14.724  -1.503  -5.849
    3    HA2  GLY  13           HA3      GLY  13 -13.531  -0.710  -6.870

  No H/Q in entry =           3
  In of MODEL   41
    1    H    MET  14           H        MET  14 -12.669  -3.680  -5.160
    2    HA   MET  14           HA       MET  14 -12.522  -4.972  -7.806
    3    HB2  MET  14           HB2      MET  14 -10.440  -4.729  -6.389
    4    HB3  MET  14           HB3      MET  14 -11.160  -5.895  -5.278
    5    HG2  MET  14           HG2      MET  14 -11.508  -7.327  -7.456
    6    HG3  MET  14           HG3      MET  14 -10.233  -6.301  -8.108
    7    HE3  MET  14           HE1      MET  14  -7.229  -8.079  -7.211
    8    HE2  MET  14           HE2      MET  14  -7.750  -6.419  -7.482
    9    HE1  MET  14           HE3      MET  14  -8.391  -7.712  -8.491

  No H/Q in entry =           9
  In of MODEL   41
    1    H    SER  15           H        SER  15 -12.844  -6.327  -4.544
    2    HA   SER  15           HA       SER  15 -14.090  -8.660  -5.208
    3    HB2  SER  15           HB2      SER  15 -13.439  -7.755  -2.873
    4    HB3  SER  15           HB3      SER  15 -15.092  -7.141  -2.825
    5    HG   SER  15           HG       SER  15 -15.585  -9.420  -3.572

  No H/Q in entry =           5
  In of MODEL   41
    1    H    THR  16           H        THR  16 -15.515  -5.473  -5.466
    2    HA   THR  16           HA       THR  16 -18.201  -6.683  -5.636
    3    HB   THR  16           HB       THR  16 -17.444  -3.767  -5.944
    4    HG1  THR  16           HG1      THR  16 -18.483  -3.944  -3.680
    5   HG21  THR  16          HG21      THR  16 -20.011  -5.307  -5.622
    6   HG23  THR  16          HG22      THR  16 -19.613  -4.050  -6.795
    7   HG22  THR  16          HG23      THR  16 -19.906  -3.622  -5.109

  No H/Q in entry =           7
  In of MODEL   41
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   41
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   41
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   41
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   41
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   41
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   41
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   41
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   41
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   41
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   41
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   41
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   41
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   41
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   41
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   41
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   41
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   41
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   41
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   41
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   41
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   41
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   41
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   41
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   41
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   41
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   41
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   41
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   41
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   41
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   41
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   41
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   41
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   41
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   41
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   41
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   41
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   41
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   41
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   41
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   41
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   41
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   41
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   41
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   41
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   41
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   41
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   41
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   41
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   41
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   41
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   41
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   41
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   41
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   41
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   42
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.288 -14.283  -2.729
    4    HB3  GLU   5           HB3      GLU   5 -14.695 -13.928  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.571 -11.557  -2.352
    6    HG3  GLU   5           HG3      GLU   5 -13.135 -11.876  -3.325

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   42
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   42
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   42
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.710  -8.427   1.550
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.705   1.336
    5    HG2  MET   9           HG2      MET   9 -14.274  -6.806  -0.975
    6    HG3  MET   9           HG3      MET   9 -13.804  -8.494  -0.781
    7    HE1  MET   9           HE1      MET   9 -16.298  -5.878  -0.548
    8    HE3  MET   9           HE2      MET   9 -17.391  -6.739   0.529
    9    HE2  MET   9           HE3      MET   9 -17.824  -6.524  -1.160

  No H/Q in entry =           9
  In of MODEL   42
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   42
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.381   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.255  -6.176   0.968
    5   HG13  ILE  12          HG13      ILE  12  -9.698  -5.423  -0.552
    6   HG22  ILE  12          HG21      ILE  12  -8.736  -2.636   0.180
    7   HG21  ILE  12          HG22      ILE  12 -10.220  -2.034   0.922
    8   HG23  ILE  12          HG23      ILE  12 -10.288  -2.979  -0.571
    9   HD13  ILE  12          HD11      ILE  12  -7.311  -5.675  -0.559
   10   HD12  ILE  12          HD12      ILE  12  -7.180  -5.027   1.066
   11   HD11  ILE  12          HD13      ILE  12  -7.640  -3.976  -0.266

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.607   5.232
    4   HG12  ILE  13          HG12      ILE  13 -13.495  -3.061   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.923  -3.522   3.576
    6   HG23  ILE  13          HG21      ILE  13 -13.712  -1.833   6.735
    7   HG22  ILE  13          HG22      ILE  13 -15.154  -1.893   5.720
    8   HG21  ILE  13          HG23      ILE  13 -13.922  -0.664   5.431
    9   HD12  ILE  13          HD11      ILE  13 -14.938  -1.364   2.019
   10   HD11  ILE  13          HD12      ILE  13 -14.217  -0.619   3.440
   11   HD13  ILE  13          HD13      ILE  13 -15.803  -1.378   3.554

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   42
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   42
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   42
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   42
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   42
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   42
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   42
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   42
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   42
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   42
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   42
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   42
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   42
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   42
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   42
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   42
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   42
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   42
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   42
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.932  -6.674  10.549
    4    HB3  HIS  52           HB3      HIS  52  -1.121  -7.731  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.243 -10.014  11.896
    6    HD2  HIS  52           HD2      HIS  52   1.259  -7.290   8.909
    7    HE1  HIS  52           HE1      HIS  52   2.450 -10.800  10.931
    8    HE2  HIS  52           HE2      HIS  52   3.083  -9.148   9.109

  No H/Q in entry =           8
  In of MODEL   42
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   42
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   42
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   42
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.221  10.983
    4    HG1  THR  56           HG1      THR  56  -0.257 -12.065   9.830
    5   HG21  THR  56          HG21      THR  56   0.968 -15.673   9.964
    6   HG23  THR  56          HG22      THR  56   0.874 -15.200  11.659
    7   HG22  THR  56          HG23      THR  56   1.845 -14.253  10.534

  No H/Q in entry =           7
  In of MODEL   42
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   42
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.300 -14.625   4.866
    4   HG12  ILE  59          HG12      ILE  59   2.420 -16.304   3.515
    5   HG13  ILE  59          HG13      ILE  59   1.208 -15.401   2.619
    6   HG21  ILE  59          HG21      ILE  59   1.134 -16.487   6.635
    7   HG23  ILE  59          HG22      ILE  59   1.891 -14.926   6.462
    8   HG22  ILE  59          HG23      ILE  59   2.593 -16.330   5.674
    9   HD13  ILE  59          HD11      ILE  59   3.031 -13.910   2.731
   10   HD12  ILE  59          HD12      ILE  59   3.384 -14.338   4.405
   11   HD11  ILE  59          HD13      ILE  59   1.964 -13.365   4.025

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   42
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   42
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   42
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   42
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   42
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   42
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   42
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   42
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LEU  74           H        LEU  74  -4.291 -13.680  -2.346
    2    HA   LEU  74           HA       LEU  74  -3.889 -12.584   0.165
    3    HB2  LEU  74           HB2      LEU  74  -2.977 -14.722  -0.513
    4    HB3  LEU  74           HB3      LEU  74  -1.967 -13.950  -1.729
    5    HG   LEU  74           HG       LEU  74  -0.744 -12.764   0.067
    6   HD12  LEU  74          HD11      LEU  74  -1.170 -13.820   2.420
    7   HD11  LEU  74          HD12      LEU  74  -2.748 -14.247   1.760
    8   HD13  LEU  74          HD13      LEU  74  -2.260 -12.554   1.856
    9   HD22  LEU  74          HD21      LEU  74   0.628 -14.610   0.556
   10   HD21  LEU  74          HD22      LEU  74  -0.283 -15.216  -0.815
   11   HD23  LEU  74          HD23      LEU  74  -0.750 -15.677   0.817

  No H/Q in entry =          11
  In of MODEL   42
    1    H    VAL  75           H        VAL  75  -2.632 -11.591  -2.923
    2    HA   VAL  75           HA       VAL  75  -0.692  -9.757  -1.879
    3    HB   VAL  75           HB       VAL  75  -1.973  -9.890  -4.627
    4   HG11  VAL  75          HG11      VAL  75   0.189  -8.228  -3.420
    5   HG13  VAL  75          HG12      VAL  75  -0.967  -7.820  -4.687
    6   HG12  VAL  75          HG13      VAL  75   0.440  -8.811  -5.064
    7   HG22  VAL  75          HG21      VAL  75  -0.164 -11.291  -5.287
    8   HG21  VAL  75          HG22      VAL  75  -0.675 -11.945  -3.731
    9   HG23  VAL  75          HG23      VAL  75   0.756 -10.922  -3.827

  No H/Q in entry =           9
  In of MODEL   42
    1    H    HIS  76           H        HIS  76  -4.288  -9.340  -3.246
    2    HA   HIS  76           HA       HIS  76  -4.617  -6.571  -3.150
    3    HB2  HIS  76           HB2      HIS  76  -6.341  -8.137  -4.045
    4    HB3  HIS  76           HB3      HIS  76  -6.721  -8.629  -2.400
    5    HD1  HIS  76           HD1      HIS  76  -5.985  -5.007  -2.738
    6    HD2  HIS  76           HD2      HIS  76  -9.392  -7.426  -2.963
    7    HE1  HIS  76           HE1      HIS  76  -7.993  -3.448  -2.604

  No H/Q in entry =           7
  In of MODEL   42
    1    H    ALA  77           H        ALA  77  -4.703  -8.949  -0.578
    2    HA   ALA  77           HA       ALA  77  -5.521  -7.033   1.442
    3    HB3  ALA  77           HB1      ALA  77  -6.253  -9.174   1.982
    4    HB2  ALA  77           HB2      ALA  77  -4.795  -9.034   2.964
    5    HB1  ALA  77           HB3      ALA  77  -4.753  -9.938   1.451

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLN  78           H        GLN  78  -2.498  -8.753   0.558
    2    HA   GLN  78           HA       GLN  78  -0.934  -7.682   2.648
    3    HB2  GLN  78           HB2      GLN  78  -0.377  -9.638   1.104
    4    HB3  GLN  78           HB3      GLN  78   0.096  -8.431  -0.092
    5    HG2  GLN  78           HG2      GLN  78   1.697  -7.473   1.536
    6    HG3  GLN  78           HG3      GLN  78   1.256  -8.727   2.693
    7   HE21  GLN  78          HE21      GLN  78   3.940  -8.549   1.795
    8   HE22  GLN  78          HE22      GLN  78   4.279  -9.887   0.807

  No H/Q in entry =           8
  In of MODEL   42
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   42
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.202   1.175
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.804   2.202
    5    HD1  HIS  80           HD1      HIS  80  -6.836  -1.062   1.187
    6    HD2  HIS  80           HD2      HIS  80  -4.920  -3.345  -1.729
    7    HE1  HIS  80           HE1      HIS  80  -7.684  -0.223  -1.055
    8    HE2  HIS  80           HE2      HIS  80  -6.522  -1.609  -2.841

  No H/Q in entry =           8
  In of MODEL   42
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   42
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   42
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   42
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   42
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   42
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   42
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   42
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   42
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   42
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   42
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   42
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.423 -20.432  -4.409
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.883  -3.475
    5    HG2  GLU   5           HG2      GLU   5  10.897 -19.842  -1.471
    6    HG3  GLU   5           HG3      GLU   5   9.483 -19.333  -2.392

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   42
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   42
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   42
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.038 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.728 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.341 -16.595   2.244
    6    HG3  MET   9           HG3      MET   9  11.582 -17.037   0.553
    7    HE1  MET   9           HE1      MET   9  12.430 -17.467   4.061
    8    HE3  MET   9           HE2      MET   9  13.968 -18.280   3.779
    9    HE2  MET   9           HE3      MET   9  12.587 -19.199   4.374

  No H/Q in entry =           9
  In of MODEL   42
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   42
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.313
    4   HG12  ILE  12          HG12      ILE  12  10.855 -11.581  -0.010
    5   HG13  ILE  12          HG13      ILE  12   9.628 -12.250   1.048
    6   HG21  ILE  12          HG21      ILE  12   9.711  -9.777   3.043
    7   HG23  ILE  12          HG22      ILE  12  10.852 -10.563   4.134
    8   HG22  ILE  12          HG23      ILE  12   9.524 -11.485   3.433
    9   HD13  ILE  12          HD11      ILE  12   8.557 -10.535  -0.211
   10   HD12  ILE  12          HD12      ILE  12   9.897  -9.427   0.022
   11   HD11  ILE  12          HD13      ILE  12   8.854  -9.841   1.376

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.102 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.813 -12.623   4.659
    5   HG13  ILE  13          HG13      ILE  13  15.291 -13.528   4.964
    6   HG23  ILE  13          HG21      ILE  13  17.382 -10.431   5.422
    7   HG22  ILE  13          HG22      ILE  13  17.055 -11.965   6.227
    8   HG21  ILE  13          HG23      ILE  13  16.122 -10.530   6.651
    9   HD12  ILE  13          HD11      ILE  13  13.517 -13.060   6.909
   10   HD11  ILE  13          HD12      ILE  13  14.424 -11.554   7.033
   11   HD13  ILE  13          HD13      ILE  13  15.250 -13.098   7.234

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   42
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   42
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   42
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   42
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   42
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   42
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   42
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   42
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   42
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   42
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   42
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   42
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   42
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   42
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   42
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   42
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   42
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   42
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   42
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.297  -1.676  -5.694
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.635
    5    HD1  HIS  52           HD1      HIS  52  17.509  -1.924  -9.275
    6    HD2  HIS  52           HD2      HIS  52  14.010  -1.041  -7.188
    7    HE1  HIS  52           HE1      HIS  52  15.850  -1.070 -10.987
    8    HE2  HIS  52           HE2      HIS  52  13.712  -0.526  -9.731

  No H/Q in entry =           8
  In of MODEL   42
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   42
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   42
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   42
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.066
    4    HG1  THR  56           HG1      THR  56  16.140  -4.214 -10.552
    5   HG21  THR  56          HG21      THR  56  16.274  -5.074 -14.266
    6   HG23  THR  56          HG22      THR  56  17.771  -4.187 -13.984
    7   HG22  THR  56          HG23      THR  56  16.223  -3.453 -13.574

  No H/Q in entry =           7
  In of MODEL   42
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   42
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.794  -7.175 -12.515
    4   HG12  ILE  59          HG12      ILE  59   9.951  -7.001 -14.907
    5   HG13  ILE  59          HG13      ILE  59   9.508  -7.830 -13.422
    6   HG21  ILE  59          HG21      ILE  59  13.320  -6.747 -14.699
    7   HG23  ILE  59          HG22      ILE  59  12.625  -5.457 -13.752
    8   HG22  ILE  59          HG23      ILE  59  11.837  -5.976 -15.233
    9   HD13  ILE  59          HD11      ILE  59   8.655  -5.655 -13.110
   10   HD12  ILE  59          HD12      ILE  59  10.081  -4.904 -13.824
   11   HD11  ILE  59          HD13      ILE  59  10.179  -5.637 -12.223

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   42
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   42
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   42
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   42
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   42
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   42
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   42
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   42
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LEU  74           H        LEU  74   7.011 -13.170  -8.614
    2    HA   LEU  74           HA       LEU  74   8.958 -11.250  -8.149
    3    HB2  LEU  74           HB2      LEU  74   8.290 -11.952 -10.371
    4    HB3  LEU  74           HB3      LEU  74   6.668 -11.313 -10.125
    5    HG   LEU  74           HG       LEU  74   7.618  -9.032  -9.936
    6   HD12  LEU  74          HD11      LEU  74  10.065  -8.907 -10.852
    7   HD11  LEU  74          HD12      LEU  74  10.175 -10.581 -10.312
    8   HD13  LEU  74          HD13      LEU  74   9.818  -9.301  -9.153
    9   HD22  LEU  74          HD21      LEU  74   7.765  -8.743 -12.266
   10   HD21  LEU  74          HD22      LEU  74   6.985 -10.311 -12.164
   11   HD23  LEU  74          HD23      LEU  74   8.714 -10.213 -12.477

  No H/Q in entry =          11
  In of MODEL   42
    1    H    VAL  75           H        VAL  75   5.485 -11.025  -7.849
    2    HA   VAL  75           HA       VAL  75   5.380  -8.228  -7.294
    3    HB   VAL  75           HB       VAL  75   3.438 -10.441  -6.562
    4   HG11  VAL  75          HG11      VAL  75   3.385  -7.464  -6.271
    5   HG13  VAL  75          HG12      VAL  75   2.715  -8.705  -5.213
    6   HG12  VAL  75          HG13      VAL  75   1.887  -8.283  -6.711
    7   HG22  VAL  75          HG21      VAL  75   2.305  -9.948  -8.602
    8   HG21  VAL  75          HG22      VAL  75   4.009 -10.004  -9.049
    9   HG23  VAL  75          HG23      VAL  75   3.207  -8.450  -8.830

  No H/Q in entry =           9
  In of MODEL   42
    1    H    HIS  76           H        HIS  76   5.576 -11.201  -5.160
    2    HA   HIS  76           HA       HIS  76   5.290  -9.985  -2.664
    3    HB2  HIS  76           HB2      HIS  76   5.501 -12.476  -3.165
    4    HB3  HIS  76           HB3      HIS  76   7.247 -12.219  -3.208
    5    HD1  HIS  76           HD1      HIS  76   5.842  -9.899  -0.852
    6    HD2  HIS  76           HD2      HIS  76   6.910 -13.926  -0.701
    7    HE1  HIS  76           HE1      HIS  76   6.067 -10.489   1.600

  No H/Q in entry =           7
  In of MODEL   42
    1    H    ALA  77           H        ALA  77   8.206 -10.431  -4.638
    2    HA   ALA  77           HA       ALA  77   9.953  -9.148  -2.766
    3    HB1  ALA  77           HB1      ALA  77  11.112 -10.528  -4.227
    4    HB3  ALA  77           HB2      ALA  77  11.393  -8.949  -4.959
    5    HB2  ALA  77           HB3      ALA  77  10.166 -10.023  -5.628

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLN  78           H        GLN  78   8.191  -8.072  -5.663
    2    HA   GLN  78           HA       GLN  78   9.307  -5.475  -5.768
    3    HB2  GLN  78           HB2      GLN  78   7.951  -6.696  -7.564
    4    HB3  GLN  78           HB3      GLN  78   6.517  -6.217  -6.657
    5    HG2  GLN  78           HG2      GLN  78   7.207  -3.850  -6.840
    6    HG3  GLN  78           HG3      GLN  78   8.610  -4.341  -7.787
    7   HE21  GLN  78          HE21      GLN  78   6.697  -2.597  -8.940
    8   HE22  GLN  78          HE22      GLN  78   5.855  -3.430 -10.157

  No H/Q in entry =           8
  In of MODEL   42
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   42
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.164  -7.453  -0.516
    4    HB3  HIS  80           HB3      HIS  80  10.040  -6.565   0.732
    5    HD1  HIS  80           HD1      HIS  80   9.478  -7.180   3.067
    6    HD2  HIS  80           HD2      HIS  80   6.375  -8.130   0.450
    7    HE1  HIS  80           HE1      HIS  80   7.688  -8.328   4.458
    8    HE2  HIS  80           HE2      HIS  80   5.791  -8.911   2.872

  No H/Q in entry =           8
  In of MODEL   42
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   42
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   42
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   42
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   42
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   42
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   42
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   42
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   42
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   42
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   42
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   42
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.104  -6.381 -21.733
    4    HB3  GLU   5           HB3      GLU   5   0.422  -5.148 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.483  -4.497 -21.789
    6    HG3  GLU   5           HG3      GLU   5   2.163  -5.685 -20.528

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   42
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   42
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   42
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.433 -21.000
    4    HB3  MET   9           HB3      MET   9   4.425   1.170 -20.553
    5    HG2  MET   9           HG2      MET   9   5.222  -0.953 -19.651
    6    HG3  MET   9           HG3      MET   9   3.659  -1.705 -19.967
    7    HE1  MET   9           HE1      MET   9   6.542   0.161 -21.138
    8    HE3  MET   9           HE2      MET   9   5.787   0.785 -22.603
    9    HE2  MET   9           HE3      MET   9   7.003  -0.484 -22.718

  No H/Q in entry =           9
  In of MODEL   42
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   42
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.478   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.669   0.275 -14.904
    5   HG13  ILE  12          HG13      ILE  12   4.217  -0.542 -14.946
    6   HG21  ILE  12          HG21      ILE  12   5.632   1.618 -13.089
    7   HG23  ILE  12          HG22      ILE  12   6.264   2.528 -14.462
    8   HG22  ILE  12          HG23      ILE  12   6.299   0.766 -14.481
    9   HD13  ILE  12          HD11      ILE  12   3.273  -1.007 -12.809
   10   HD12  ILE  12          HD12      ILE  12   2.790   0.665 -12.579
   11   HD11  ILE  12          HD13      ILE  12   4.493   0.226 -12.533

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.811 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.826   3.928 -17.793
    5   HG13  ILE  13          HG13      ILE  13   5.627   4.709 -19.359
    6   HG23  ILE  13          HG21      ILE  13   4.751   8.047 -17.858
    7   HG22  ILE  13          HG22      ILE  13   5.829   7.356 -19.071
    8   HG21  ILE  13          HG23      ILE  13   6.388   7.566 -17.413
    9   HD12  ILE  13          HD11      ILE  13   8.038   4.426 -18.239
   10   HD11  ILE  13          HD12      ILE  13   7.569   5.926 -17.442
   11   HD13  ILE  13          HD13      ILE  13   7.632   5.845 -19.201

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   42
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   42
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   42
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   42
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   42
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   42
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   42
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   42
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   42
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   42
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   42
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   42
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   42
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   42
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   42
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   42
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   42
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   42
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   42
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.018  -8.740
    4    HB3  HIS  52           HB3      HIS  52  -7.512   7.702  -9.500
    5    HD1  HIS  52           HD1      HIS  52  -9.760   6.303  -9.239
    6    HD2  HIS  52           HD2      HIS  52  -6.596   5.016  -6.851
    7    HE1  HIS  52           HE1      HIS  52 -10.761   4.775  -7.492
    8    HE2  HIS  52           HE2      HIS  52  -8.846   3.985  -6.019

  No H/Q in entry =           8
  In of MODEL   42
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   42
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   42
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   42
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.904   3.586 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.035   3.594 -10.337
    5   HG21  THR  56          HG21      THR  56 -13.301   1.671 -10.727
    6   HG23  THR  56          HG22      THR  56 -13.816   3.352 -10.860
    7   HG22  THR  56          HG23      THR  56 -12.937   2.811  -9.432

  No H/Q in entry =           7
  In of MODEL   42
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   42
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.638  -2.001 -10.396
    4   HG12  ILE  59          HG12      ILE  59 -11.016  -4.287  -8.989
    5   HG13  ILE  59          HG13      ILE  59  -9.427  -4.471  -9.713
    6   HG21  ILE  59          HG21      ILE  59 -12.581  -2.388 -10.114
    7   HG23  ILE  59          HG22      ILE  59 -11.656  -0.910 -10.122
    8   HG22  ILE  59          HG23      ILE  59 -11.673  -1.923  -8.687
    9   HD13  ILE  59          HD11      ILE  59  -8.865  -3.836  -7.543
   10   HD12  ILE  59          HD12      ILE  59 -10.251  -2.758  -7.399
   11   HD11  ILE  59          HD13      ILE  59  -8.863  -2.282  -8.376

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   42
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   42
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   42
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   42
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   42
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   42
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   42
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   42
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LEU  74           H        LEU  74  -3.312  -7.011 -13.422
    2    HA   LEU  74           HA       LEU  74  -3.953  -4.381 -12.839
    3    HB2  LEU  74           HB2      LEU  74  -5.590  -6.173 -12.863
    4    HB3  LEU  74           HB3      LEU  74  -4.795  -6.971 -11.511
    5    HG   LEU  74           HG       LEU  74  -5.331  -5.024 -10.074
    6   HD12  LEU  74          HD11      LEU  74  -7.172  -3.497 -11.124
    7   HD11  LEU  74          HD12      LEU  74  -6.510  -4.038 -12.666
    8   HD13  LEU  74          HD13      LEU  74  -5.485  -3.175 -11.521
    9   HD22  LEU  74          HD21      LEU  74  -7.535  -5.744  -9.668
   10   HD21  LEU  74          HD22      LEU  74  -6.905  -7.084 -10.610
   11   HD23  LEU  74          HD23      LEU  74  -7.907  -5.864 -11.386

  No H/Q in entry =          11
  In of MODEL   42
    1    H    VAL  75           H        VAL  75  -2.307  -6.753 -10.879
    2    HA   VAL  75           HA       VAL  75  -2.160  -5.187  -8.499
    3    HB   VAL  75           HB       VAL  75  -0.397  -7.470  -9.430
    4   HG11  VAL  75          HG11      VAL  75  -0.561  -5.866  -6.906
    5   HG13  VAL  75          HG12      VAL  75   0.854  -6.544  -7.709
    6   HG12  VAL  75          HG13      VAL  75  -0.218  -7.591  -6.780
    7   HG22  VAL  75          HG21      VAL  75  -1.864  -8.918  -8.233
    8   HG21  VAL  75          HG22      VAL  75  -2.947  -7.841  -9.116
    9   HG23  VAL  75          HG23      VAL  75  -2.639  -7.570  -7.402

  No H/Q in entry =           9
  In of MODEL   42
    1    H    HIS  76           H        HIS  76   0.116  -5.655 -11.327
    2    HA   HIS  76           HA       HIS  76   2.303  -4.205 -10.380
    3    HB2  HIS  76           HB2      HIS  76   2.073  -5.519 -12.581
    4    HB3  HIS  76           HB3      HIS  76   1.385  -4.036 -13.244
    5    HD1  HIS  76           HD1      HIS  76   3.230  -2.990 -14.571
    6    HD2  HIS  76           HD2      HIS  76   4.578  -4.362 -10.874
    7    HE1  HIS  76           HE1      HIS  76   5.646  -2.258 -14.373

  No H/Q in entry =           7
  In of MODEL   42
    1    H    ALA  77           H        ALA  77  -0.586  -3.059 -12.097
    2    HA   ALA  77           HA       ALA  77   0.208  -0.312 -12.081
    3    HB1  ALA  77           HB1      ALA  77  -1.385  -0.752 -13.712
    4    HB3  ALA  77           HB2      ALA  77  -2.388  -0.050 -12.443
    5    HB2  ALA  77           HB3      ALA  77  -2.335  -1.799 -12.656

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLN  78           H        GLN  78  -1.833  -2.313  -9.975
    2    HA   GLN  78           HA       GLN  78  -2.762  -0.205  -8.330
    3    HB2  GLN  78           HB2      GLN  78  -3.650  -2.600  -8.498
    4    HB3  GLN  78           HB3      GLN  78  -2.320  -3.055  -7.432
    5    HG2  GLN  78           HG2      GLN  78  -3.111  -1.404  -5.768
    6    HG3  GLN  78           HG3      GLN  78  -4.468  -1.008  -6.821
    7   HE21  GLN  78          HE21      GLN  78  -4.964  -2.046  -4.226
    8   HE22  GLN  78          HE22      GLN  78  -5.596  -3.615  -4.374

  No H/Q in entry =           8
  In of MODEL   42
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   42
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.315   0.891 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.968   2.520 -10.292
    5    HD1  HIS  80           HD1      HIS  80   5.389   2.751 -10.764
    6    HD2  HIS  80           HD2      HIS  80   4.411  -1.159  -9.701
    7    HE1  HIS  80           HE1      HIS  80   7.530   1.397 -10.955
    8    HE2  HIS  80           HE2      HIS  80   6.944  -0.991 -10.310

  No H/Q in entry =           8
  In of MODEL   42
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   42
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   42
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   42
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   42
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   42
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   42
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   42
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   42
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   42
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   42
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   42
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   42
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   42
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   42
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   42
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   42
    1    H    PHE   9           H        PHE   9 -21.276   0.630  -3.909
    2    HA   PHE   9           HA       PHE   9 -18.519   1.522  -4.551
    3    HB2  PHE   9           HB2      PHE   9 -20.327   2.428  -2.303
    4    HB3  PHE   9           HB3      PHE   9 -18.619   2.842  -2.439
    5    HD1  PHE   9           HD1      PHE   9 -21.980   3.463  -3.697
    6    HD2  PHE   9           HD2      PHE   9 -17.805   4.207  -4.363
    7    HE1  PHE   9           HE1      PHE   9 -22.558   5.320  -5.234
    8    HE2  PHE   9           HE2      PHE   9 -18.382   6.063  -5.904
    9    HZ   PHE   9           HZ       PHE   9 -20.759   6.620  -6.340

  No H/Q in entry =           9
  In of MODEL   42
    1    H    CYS  10           H        CYS  10 -16.903   0.886  -3.263
    2    HA   CYS  10           HA       CYS  10 -17.168  -0.812  -0.945
    3    HB2  CYS  10           HB2      CYS  10 -16.094  -2.751  -1.761
    4    HB3  CYS  10           HB3      CYS  10 -17.232  -2.336  -3.047

  No H/Q in entry =           4
  In of MODEL   42
    1    H    SER  11           H        SER  11 -14.424  -1.501  -0.444
    2    HA   SER  11           HA       SER  11 -13.463   1.113  -0.023
    3    HB2  SER  11           HB2      SER  11 -12.121  -1.576   0.095
    4    HB3  SER  11           HB3      SER  11 -11.215  -0.103   0.368
    5    HG   SER  11           HG       SER  11 -13.107   0.354   1.871

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA  12           H        ALA  12 -12.182  -1.353  -2.388
    2    HA   ALA  12           HA       ALA  12 -10.798   0.898  -3.684
    3    HB2  ALA  12           HB1      ALA  12  -9.922  -1.531  -4.800
    4    HB1  ALA  12           HB2      ALA  12 -10.068  -1.829  -3.068
    5    HB3  ALA  12           HB3      ALA  12  -9.052  -0.512  -3.652

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLY  13           H        GLY  13 -12.870  -1.896  -4.345
    2    HA3  GLY  13           HA2      GLY  13 -14.696  -1.499  -5.961
    3    HA2  GLY  13           HA3      GLY  13 -13.493  -0.723  -6.983

  No H/Q in entry =           3
  In of MODEL   42
    1    H    MET  14           H        MET  14 -12.733  -3.711  -5.215
    2    HA   MET  14           HA       MET  14 -12.557  -5.024  -7.852
    3    HB2  MET  14           HB2      MET  14 -10.474  -4.746  -6.435
    4    HB3  MET  14           HB3      MET  14 -11.181  -5.918  -5.323
    5    HG2  MET  14           HG2      MET  14 -11.373  -7.547  -7.181
    6    HG3  MET  14           HG3      MET  14 -10.626  -6.380  -8.270
    7    HE2  MET  14           HE1      MET  14  -7.632  -8.368  -8.313
    8    HE1  MET  14           HE2      MET  14  -9.236  -8.054  -8.969
    9    HE3  MET  14           HE3      MET  14  -8.998  -9.385  -7.841

  No H/Q in entry =           9
  In of MODEL   42
    1    H    SER  15           H        SER  15 -12.854  -6.335  -4.572
    2    HA   SER  15           HA       SER  15 -14.103  -8.679  -5.201
    3    HB2  SER  15           HB2      SER  15 -13.438  -7.724  -2.880
    4    HB3  SER  15           HB3      SER  15 -15.103  -7.144  -2.831
    5    HG   SER  15           HG       SER  15 -14.587  -9.782  -3.625

  No H/Q in entry =           5
  In of MODEL   42
    1    H    THR  16           H        THR  16 -15.519  -5.489  -5.469
    2    HA   THR  16           HA       THR  16 -18.207  -6.696  -5.640
    3    HB   THR  16           HB       THR  16 -17.453  -3.779  -5.944
    4    HG1  THR  16           HG1      THR  16 -16.928  -4.140  -3.906
    5   HG21  THR  16          HG21      THR  16 -20.014  -5.327  -5.624
    6   HG23  THR  16          HG22      THR  16 -19.623  -4.057  -6.785
    7   HG22  THR  16          HG23      THR  16 -19.915  -3.646  -5.095

  No H/Q in entry =           7
  In of MODEL   42
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   42
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   42
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   42
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   42
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   42
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   42
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   42
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   42
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   42
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   42
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   42
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   42
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   42
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   42
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   42
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   42
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   42
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   42
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   42
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   42
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   42
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   42
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   42
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.561  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.792  -7.076   1.796
    5    HG3  PRO  58           HG3      PRO  58 -22.326  -7.697   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.615  -0.007
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.740  -0.009

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   42
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   42
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   42
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   42
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   42
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   42
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   42
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   42
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   42
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   42
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   42
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   42
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   42
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   42
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   42
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   42
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   42
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   42
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   42
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   42
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   42
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   42
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   42
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   42
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   42
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   42
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   42
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   42
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   42
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   42
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   42
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   43
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   43
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.282 -14.273  -2.737
    4    HB3  GLU   5           HB3      GLU   5 -14.690 -13.940  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.593 -11.564  -2.335
    6    HG3  GLU   5           HG3      GLU   5 -13.155 -11.860  -3.312

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   43
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   43
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   43
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.708  -8.430   1.546
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.707   1.340
    5    HG2  MET   9           HG2      MET   9 -14.298  -6.791  -0.971
    6    HG3  MET   9           HG3      MET   9 -13.790  -8.470  -0.789
    7    HE1  MET   9           HE1      MET   9 -16.348  -5.911  -0.535
    8    HE3  MET   9           HE2      MET   9 -17.394  -6.806   0.562
    9    HE2  MET   9           HE3      MET   9 -17.868  -6.598  -1.116

  No H/Q in entry =           9
  In of MODEL   43
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   43
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.938  -4.408   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.199  -6.155   0.947
    5   HG13  ILE  12          HG13      ILE  12  -9.677  -5.405  -0.562
    6   HG22  ILE  12          HG21      ILE  12  -8.776  -2.596   0.195
    7   HG21  ILE  12          HG22      ILE  12 -10.275  -2.040   0.944
    8   HG23  ILE  12          HG23      ILE  12 -10.320  -2.972  -0.558
    9   HD12  ILE  12          HD11      ILE  12  -7.141  -4.943   1.016
   10   HD11  ILE  12          HD12      ILE  12  -7.653  -3.902  -0.300
   11   HD13  ILE  12          HD13      ILE  12  -7.313  -5.600  -0.604

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.608   5.229
    4   HG12  ILE  13          HG12      ILE  13 -13.498  -3.056   2.663
    5   HG13  ILE  13          HG13      ILE  13 -14.925  -3.517   3.575
    6   HG23  ILE  13          HG21      ILE  13 -13.718  -1.847   6.739
    7   HG22  ILE  13          HG22      ILE  13 -15.154  -1.887   5.715
    8   HG21  ILE  13          HG23      ILE  13 -13.911  -0.665   5.444
    9   HD11  ILE  13          HD11      ILE  13 -14.222  -0.611   3.447
   10   HD13  ILE  13          HD12      ILE  13 -15.804  -1.374   3.554
   11   HD12  ILE  13          HD13      ILE  13 -14.936  -1.362   2.021

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   43
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   43
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   43
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   43
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   43
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   43
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   43
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   43
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   43
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   43
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   43
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   43
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   43
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   43
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   43
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   43
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   43
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   43
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   43
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.959  -6.663  10.583
    4    HB3  HIS  52           HB3      HIS  52  -1.098  -7.770  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.218 -10.118  11.657
    6    HD2  HIS  52           HD2      HIS  52   1.300  -7.082   9.013
    7    HE1  HIS  52           HE1      HIS  52   2.443 -10.800  10.656
    8    HE2  HIS  52           HE2      HIS  52   3.117  -8.958   9.042

  No H/Q in entry =           8
  In of MODEL   43
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   43
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   43
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   43
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.098 -14.212  10.983
    4    HG1  THR  56           HG1      THR  56   0.647 -12.301   9.850
    5   HG23  THR  56          HG21      THR  56   0.891 -15.181  11.674
    6   HG22  THR  56          HG22      THR  56   1.847 -14.291  10.491
    7   HG21  THR  56          HG23      THR  56   0.917 -15.701   9.989

  No H/Q in entry =           7
  In of MODEL   43
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   43
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.912
    4   HG12  ILE  59          HG12      ILE  59   2.395 -16.244   3.449
    5   HG13  ILE  59          HG13      ILE  59   1.137 -15.348   2.612
    6   HG21  ILE  59          HG21      ILE  59   1.118 -16.022   6.798
    7   HG23  ILE  59          HG22      ILE  59   2.388 -15.064   6.085
    8   HG22  ILE  59          HG23      ILE  59   2.286 -16.781   5.732
    9   HD12  ILE  59          HD11      ILE  59   3.304 -14.256   4.404
   10   HD11  ILE  59          HD12      ILE  59   1.880 -13.310   3.972
   11   HD13  ILE  59          HD13      ILE  59   2.988 -13.858   2.715

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   43
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   43
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   43
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   43
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   43
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   43
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   43
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   43
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LEU  74           H        LEU  74  -4.187 -13.630  -2.386
    2    HA   LEU  74           HA       LEU  74  -3.796 -12.441   0.114
    3    HB2  LEU  74           HB2      LEU  74  -2.874 -14.606  -0.556
    4    HB3  LEU  74           HB3      LEU  74  -1.840 -13.817  -1.741
    5    HG   LEU  74           HG       LEU  74  -0.732 -12.580   0.120
    6   HD13  LEU  74          HD11      LEU  74  -2.294 -12.508   1.870
    7   HD12  LEU  74          HD12      LEU  74  -1.161 -13.738   2.426
    8   HD11  LEU  74          HD13      LEU  74  -2.701 -14.216   1.710
    9   HD21  LEU  74          HD21      LEU  74  -0.104 -14.971  -0.834
   10   HD23  LEU  74          HD22      LEU  74  -0.605 -15.519   0.756
   11   HD22  LEU  74          HD23      LEU  74   0.711 -14.361   0.605

  No H/Q in entry =          11
  In of MODEL   43
    1    H    VAL  75           H        VAL  75  -2.689 -11.562  -3.042
    2    HA   VAL  75           HA       VAL  75  -0.712  -9.657  -2.254
    3    HB   VAL  75           HB       VAL  75  -2.260 -10.059  -4.826
    4   HG13  VAL  75          HG11      VAL  75  -1.669  -7.711  -4.706
    5   HG12  VAL  75          HG12      VAL  75  -0.558  -8.503  -5.823
    6   HG11  VAL  75          HG13      VAL  75  -0.032  -8.107  -4.188
    7   HG22  VAL  75          HG21      VAL  75  -0.136 -10.968  -5.645
    8   HG21  VAL  75          HG22      VAL  75  -0.590 -11.809  -4.164
    9   HG23  VAL  75          HG23      VAL  75   0.652 -10.561  -4.120

  No H/Q in entry =           9
  In of MODEL   43
    1    H    HIS  76           H        HIS  76  -4.407  -9.259  -3.367
    2    HA   HIS  76           HA       HIS  76  -4.720  -6.486  -3.182
    3    HB2  HIS  76           HB2      HIS  76  -6.470  -8.066  -4.057
    4    HB3  HIS  76           HB3      HIS  76  -6.822  -8.531  -2.398
    5    HD1  HIS  76           HD1      HIS  76  -6.035  -4.924  -2.825
    6    HD2  HIS  76           HD2      HIS  76  -9.484  -7.293  -2.892
    7    HE1  HIS  76           HE1      HIS  76  -8.015  -3.331  -2.660

  No H/Q in entry =           7
  In of MODEL   43
    1    H    ALA  77           H        ALA  77  -4.721  -8.949  -0.671
    2    HA   ALA  77           HA       ALA  77  -5.522  -7.106   1.415
    3    HB3  ALA  77           HB1      ALA  77  -4.667  -9.985   1.338
    4    HB2  ALA  77           HB2      ALA  77  -6.194  -9.291   1.881
    5    HB1  ALA  77           HB3      ALA  77  -4.749  -9.127   2.878

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLN  78           H        GLN  78  -2.471  -8.796   0.527
    2    HA   GLN  78           HA       GLN  78  -0.933  -7.718   2.617
    3    HB2  GLN  78           HB2      GLN  78  -0.349  -9.649   1.047
    4    HB3  GLN  78           HB3      GLN  78   0.134  -8.420  -0.121
    5    HG2  GLN  78           HG2      GLN  78   1.704  -7.482   1.552
    6    HG3  GLN  78           HG3      GLN  78   1.258  -8.765   2.673
    7   HE21  GLN  78          HE21      GLN  78   3.138 -10.064   2.702
    8   HE22  GLN  78          HE22      GLN  78   3.847 -10.731   1.311

  No H/Q in entry =           8
  In of MODEL   43
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   43
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.177
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.802   2.201
    5    HD1  HIS  80           HD1      HIS  80  -6.708  -0.953   1.169
    6    HD2  HIS  80           HD2      HIS  80  -5.045  -3.461  -1.717
    7    HE1  HIS  80           HE1      HIS  80  -7.587  -0.148  -1.074
    8    HE2  HIS  80           HE2      HIS  80  -6.579  -1.672  -2.842

  No H/Q in entry =           8
  In of MODEL   43
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   43
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   43
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   43
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   43
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   43
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   43
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   43
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   43
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   43
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   43
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   43
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   43
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   43
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.431 -20.437  -4.414
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.882  -3.464
    5    HG2  GLU   5           HG2      GLU   5  10.874 -19.818  -1.477
    6    HG3  GLU   5           HG3      GLU   5   9.460 -19.343  -2.416

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   43
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   43
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   43
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.036 -16.707   0.857
    4    HB3  MET   9           HB3      MET   9  13.730 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.349 -16.604   2.261
    6    HG3  MET   9           HG3      MET   9  11.570 -17.020   0.561
    7    HE1  MET   9           HE1      MET   9  12.465 -17.511   4.057
    8    HE3  MET   9           HE2      MET   9  14.007 -18.293   3.721
    9    HE2  MET   9           HE3      MET   9  12.657 -19.246   4.333

  No H/Q in entry =           9
  In of MODEL   43
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   43
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.953   2.307
    4   HG12  ILE  12          HG12      ILE  12  10.844 -11.556  -0.014
    5   HG13  ILE  12          HG13      ILE  12   9.634 -12.253   1.044
    6   HG21  ILE  12          HG21      ILE  12   9.723  -9.776   3.059
    7   HG23  ILE  12          HG22      ILE  12  10.862 -10.579   4.139
    8   HG22  ILE  12          HG23      ILE  12   9.525 -11.485   3.434
    9   HD12  ILE  12          HD11      ILE  12   9.846  -9.398   0.087
   10   HD11  ILE  12          HD12      ILE  12   8.796  -9.881   1.407
   11   HD13  ILE  12          HD13      ILE  12   8.552 -10.551  -0.200

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.100 -11.637   3.844
    4   HG12  ILE  13          HG12      ILE  13  13.812 -12.621   4.666
    5   HG13  ILE  13          HG13      ILE  13  15.290 -13.527   4.967
    6   HG23  ILE  13          HG21      ILE  13  17.388 -10.437   5.414
    7   HG22  ILE  13          HG22      ILE  13  17.053 -11.964   6.230
    8   HG21  ILE  13          HG23      ILE  13  16.128 -10.520   6.645
    9   HD11  ILE  13          HD11      ILE  13  14.428 -11.552   7.041
   10   HD13  ILE  13          HD12      ILE  13  15.255 -13.096   7.237
   11   HD12  ILE  13          HD13      ILE  13  13.522 -13.059   6.912

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   43
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   43
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   43
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   43
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   43
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   43
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   43
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   43
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   43
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   43
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   43
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   43
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   43
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   43
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   43
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   43
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   43
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   43
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   43
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.337  -1.676  -5.674
    4    HB3  HIS  52           HB3      HIS  52  17.783  -1.773  -6.680
    5    HD1  HIS  52           HD1      HIS  52  17.318  -2.104  -9.326
    6    HD2  HIS  52           HD2      HIS  52  14.061  -0.853  -7.045
    7    HE1  HIS  52           HE1      HIS  52  15.607  -1.197 -10.958
    8    HE2  HIS  52           HE2      HIS  52  13.615  -0.429  -9.583

  No H/Q in entry =           8
  In of MODEL   43
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   43
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   43
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   43
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.454 -12.057
    4    HG1  THR  56           HG1      THR  56  15.822  -3.643 -11.226
    5   HG23  THR  56          HG21      THR  56  17.777  -4.161 -13.978
    6   HG22  THR  56          HG22      THR  56  16.192  -3.487 -13.602
    7   HG21  THR  56          HG23      THR  56  16.322  -5.114 -14.264

  No H/Q in entry =           7
  In of MODEL   43
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   43
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.838  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.893  -7.018 -14.836
    5   HG13  ILE  59          HG13      ILE  59   9.523  -7.858 -13.338
    6   HG21  ILE  59          HG21      ILE  59  13.405  -6.458 -14.318
    7   HG23  ILE  59          HG22      ILE  59  12.110  -5.313 -14.085
    8   HG22  ILE  59          HG23      ILE  59  12.073  -6.405 -15.460
    9   HD12  ILE  59          HD11      ILE  59  10.099  -4.923 -13.716
   10   HD11  ILE  59          HD12      ILE  59  10.156  -5.693 -12.131
   11   HD13  ILE  59          HD13      ILE  59   8.648  -5.667 -13.045

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   43
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   43
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   43
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   43
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   43
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   43
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   43
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   43
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LEU  74           H        LEU  74   6.929 -13.089  -8.616
    2    HA   LEU  74           HA       LEU  74   8.861 -11.139  -8.066
    3    HB2  LEU  74           HB2      LEU  74   8.204 -11.838 -10.317
    4    HB3  LEU  74           HB3      LEU  74   6.596 -11.165 -10.075
    5    HG   LEU  74           HG       LEU  74   7.639  -8.914  -9.785
    6   HD13  LEU  74          HD11      LEU  74   9.845  -9.314  -9.089
    7   HD12  LEU  74          HD12      LEU  74  10.057  -8.847 -10.775
    8   HD11  LEU  74          HD13      LEU  74  10.115 -10.549 -10.317
    9   HD21  LEU  74          HD21      LEU  74   6.864 -10.064 -12.043
   10   HD23  LEU  74          HD22      LEU  74   8.580 -10.047 -12.410
   11   HD22  LEU  74          HD23      LEU  74   7.738  -8.535 -12.094

  No H/Q in entry =          11
  In of MODEL   43
    1    H    VAL  75           H        VAL  75   5.406 -11.128  -7.718
    2    HA   VAL  75           HA       VAL  75   5.041  -8.362  -7.179
    3    HB   VAL  75           HB       VAL  75   3.416 -10.817  -6.479
    4   HG13  VAL  75          HG11      VAL  75   2.978  -9.148  -4.760
    5   HG12  VAL  75          HG12      VAL  75   1.605  -9.203  -5.864
    6   HG11  VAL  75          HG13      VAL  75   2.779  -7.893  -5.982
    7   HG22  VAL  75          HG21      VAL  75   1.922  -9.971  -8.235
    8   HG21  VAL  75          HG22      VAL  75   3.556 -10.119  -8.881
    9   HG23  VAL  75          HG23      VAL  75   2.929  -8.536  -8.427

  No H/Q in entry =           9
  In of MODEL   43
    1    H    HIS  76           H        HIS  76   5.538 -11.246  -4.956
    2    HA   HIS  76           HA       HIS  76   5.324  -9.882  -2.511
    3    HB2  HIS  76           HB2      HIS  76   5.518 -12.417  -2.932
    4    HB3  HIS  76           HB3      HIS  76   7.262 -12.147  -2.945
    5    HD1  HIS  76           HD1      HIS  76   7.937 -13.060  -0.689
    6    HD2  HIS  76           HD2      HIS  76   4.721 -10.420  -0.417
    7    HE1  HIS  76           HE1      HIS  76   7.528 -12.681   1.781

  No H/Q in entry =           7
  In of MODEL   43
    1    H    ALA  77           H        ALA  77   8.154 -10.461  -4.589
    2    HA   ALA  77           HA       ALA  77  10.001  -9.166  -2.844
    3    HB2  ALA  77           HB1      ALA  77  10.047 -10.027  -5.718
    4    HB1  ALA  77           HB2      ALA  77  11.035 -10.587  -4.370
    5    HB3  ALA  77           HB3      ALA  77  11.343  -9.008  -5.091

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLN  78           H        GLN  78   8.141  -8.075  -5.678
    2    HA   GLN  78           HA       GLN  78   9.282  -5.484  -5.801
    3    HB2  GLN  78           HB2      GLN  78   7.890  -6.708  -7.577
    4    HB3  GLN  78           HB3      GLN  78   6.475  -6.193  -6.659
    5    HG2  GLN  78           HG2      GLN  78   7.219  -3.841  -6.865
    6    HG3  GLN  78           HG3      GLN  78   8.592  -4.371  -7.834
    7   HE21  GLN  78          HE21      GLN  78   8.041  -3.617  -9.916
    8   HE22  GLN  78          HE22      GLN  78   6.590  -4.004 -10.709

  No H/Q in entry =           8
  In of MODEL   43
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   43
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.173  -7.450  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.037  -6.564   0.740
    5    HD1  HIS  80           HD1      HIS  80   9.390  -7.063   3.094
    6    HD2  HIS  80           HD2      HIS  80   6.445  -8.264   0.398
    7    HE1  HIS  80           HE1      HIS  80   7.608  -8.254   4.458
    8    HE2  HIS  80           HE2      HIS  80   5.807  -8.991   2.824

  No H/Q in entry =           8
  In of MODEL   43
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   43
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   43
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   43
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   43
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   43
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   43
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   43
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   43
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   43
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   43
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   43
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   43
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   43
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.112  -6.383 -21.724
    4    HB3  GLU   5           HB3      GLU   5   0.411  -5.155 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.478  -4.484 -21.813
    6    HG3  GLU   5           HG3      GLU   5   2.176  -5.663 -20.539

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   43
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   43
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   43
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.433 -21.000
    4    HB3  MET   9           HB3      MET   9   4.425   1.170 -20.553
    5    HG2  MET   9           HG2      MET   9   5.230  -0.949 -19.661
    6    HG3  MET   9           HG3      MET   9   3.662  -1.703 -19.955
    7    HE1  MET   9           HE1      MET   9   6.523   0.177 -21.189
    8    HE3  MET   9           HE2      MET   9   5.705   0.796 -22.621
    9    HE2  MET   9           HE3      MET   9   6.941  -0.448 -22.789

  No H/Q in entry =           9
  In of MODEL   43
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   43
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.472   1.684 -15.888
    4   HG12  ILE  12          HG12      ILE  12   2.667   0.276 -14.877
    5   HG13  ILE  12          HG13      ILE  12   4.213  -0.542 -14.949
    6   HG21  ILE  12          HG21      ILE  12   5.640   1.638 -13.096
    7   HG23  ILE  12          HG22      ILE  12   6.267   2.529 -14.484
    8   HG22  ILE  12          HG23      ILE  12   6.299   0.767 -14.480
    9   HD12  ILE  12          HD11      ILE  12   2.862   0.668 -12.537
   10   HD11  ILE  12          HD12      ILE  12   4.547   0.178 -12.538
   11   HD13  ILE  12          HD13      ILE  12   3.285  -1.013 -12.820

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.808 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.832   3.930 -17.793
    5   HG13  ILE  13          HG13      ILE  13   5.633   4.712 -19.359
    6   HG23  ILE  13          HG21      ILE  13   4.742   8.045 -17.862
    7   HG22  ILE  13          HG22      ILE  13   5.828   7.358 -19.070
    8   HG21  ILE  13          HG23      ILE  13   6.380   7.572 -17.409
    9   HD11  ILE  13          HD11      ILE  13   7.574   5.935 -17.442
   10   HD13  ILE  13          HD12      ILE  13   7.636   5.847 -19.201
   11   HD12  ILE  13          HD13      ILE  13   8.039   4.430 -18.232

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   43
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   43
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   43
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   43
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   43
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   43
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   43
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   43
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   43
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   43
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   43
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   43
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   43
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   43
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   43
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   43
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   43
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   43
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   43
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.057  -8.763
    4    HB3  HIS  52           HB3      HIS  52  -7.551   7.681  -9.496
    5    HD1  HIS  52           HD1      HIS  52  -9.702   6.044  -9.288
    6    HD2  HIS  52           HD2      HIS  52  -6.516   5.212  -6.732
    7    HE1  HIS  52           HE1      HIS  52 -10.616   4.537  -7.476
    8    HE2  HIS  52           HE2      HIS  52  -8.688   4.024  -5.901

  No H/Q in entry =           8
  In of MODEL   43
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   43
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   43
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   43
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.893   3.592 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.593   3.329  -9.606
    5   HG23  THR  56          HG21      THR  56 -13.821   3.364 -10.857
    6   HG22  THR  56          HG22      THR  56 -12.950   2.772  -9.443
    7   HG21  THR  56          HG23      THR  56 -13.307   1.679 -10.778

  No H/Q in entry =           7
  In of MODEL   43
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   43
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.668  -1.967 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.925  -4.313  -8.986
    5   HG13  ILE  59          HG13      ILE  59  -9.349  -4.435  -9.750
    6   HG23  ILE  59          HG21      ILE  59 -11.942  -1.130 -10.327
    7   HG22  ILE  59          HG22      ILE  59 -11.490  -1.661  -8.728
    8   HG21  ILE  59          HG23      ILE  59 -12.545  -2.659  -9.715
    9   HD12  ILE  59          HD11      ILE  59 -10.176  -2.692  -7.445
   10   HD11  ILE  59          HD12      ILE  59  -8.766  -2.288  -8.422
   11   HD13  ILE  59          HD13      ILE  59  -8.821  -3.816  -7.545

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   43
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   43
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   43
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   43
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   43
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   43
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   43
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   43
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   43
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LEU  74           H        LEU  74  -3.293  -7.032 -13.305
    2    HA   LEU  74           HA       LEU  74  -3.851  -4.361 -12.697
    3    HB2  LEU  74           HB2      LEU  74  -5.519  -6.158 -12.721
    4    HB3  LEU  74           HB3      LEU  74  -4.739  -6.926 -11.344
    5    HG   LEU  74           HG       LEU  74  -5.218  -4.877  -9.995
    6   HD13  LEU  74          HD11      LEU  74  -5.439  -3.128 -11.543
    7   HD12  LEU  74          HD12      LEU  74  -7.112  -3.443 -11.088
    8   HD11  LEU  74          HD13      LEU  74  -6.480  -4.068 -12.610
    9   HD21  LEU  74          HD21      LEU  74  -6.776  -6.991 -10.336
   10   HD23  LEU  74          HD22      LEU  74  -7.811  -5.853 -11.181
   11   HD22  LEU  74          HD23      LEU  74  -7.401  -5.576  -9.492

  No H/Q in entry =          11
  In of MODEL   43
    1    H    VAL  75           H        VAL  75  -2.144  -6.812 -10.933
    2    HA   VAL  75           HA       VAL  75  -1.887  -5.464  -8.447
    3    HB   VAL  75           HB       VAL  75  -0.254  -7.647  -9.750
    4   HG13  VAL  75          HG11      VAL  75   1.235  -6.395  -8.276
    5   HG12  VAL  75          HG12      VAL  75   0.807  -7.920  -7.502
    6   HG11  VAL  75          HG13      VAL  75   0.029  -6.423  -6.989
    7   HG22  VAL  75          HG21      VAL  75  -1.365  -9.065  -8.081
    8   HG21  VAL  75          HG22      VAL  75  -2.587  -8.176  -8.990
    9   HG23  VAL  75          HG23      VAL  75  -2.140  -7.651  -7.368

  No H/Q in entry =           9
  In of MODEL   43
    1    H    HIS  76           H        HIS  76   0.321  -5.628 -11.374
    2    HA   HIS  76           HA       HIS  76   2.419  -4.075 -10.343
    3    HB2  HIS  76           HB2      HIS  76   2.325  -5.389 -12.557
    4    HB3  HIS  76           HB3      HIS  76   1.565  -3.946 -13.228
    5    HD1  HIS  76           HD1      HIS  76   3.454  -2.957 -14.579
    6    HD2  HIS  76           HD2      HIS  76   4.633  -3.920 -10.699
    7    HE1  HIS  76           HE1      HIS  76   5.795  -2.036 -14.293

  No H/Q in entry =           7
  In of MODEL   43
    1    H    ALA  77           H        ALA  77  -0.521  -3.101 -12.094
    2    HA   ALA  77           HA       ALA  77   0.123  -0.325 -12.117
    3    HB1  ALA  77           HB1      ALA  77  -2.367  -1.934 -12.589
    4    HB3  ALA  77           HB2      ALA  77  -1.474  -0.908 -13.711
    5    HB2  ALA  77           HB3      ALA  77  -2.476  -0.178 -12.458

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLN  78           H        GLN  78  -1.827  -2.362  -9.947
    2    HA   GLN  78           HA       GLN  78  -2.776  -0.237  -8.328
    3    HB2  GLN  78           HB2      GLN  78  -3.642  -2.647  -8.471
    4    HB3  GLN  78           HB3      GLN  78  -2.316  -3.070  -7.389
    5    HG2  GLN  78           HG2      GLN  78  -3.135  -1.392  -5.762
    6    HG3  GLN  78           HG3      GLN  78  -4.492  -1.040  -6.829
    7   HE21  GLN  78          HE21      GLN  78  -6.254  -1.942  -5.692
    8   HE22  GLN  78          HE22      GLN  78  -6.323  -3.560  -5.184

  No H/Q in entry =           8
  In of MODEL   43
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   43
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.312   0.895 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.972   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.426   2.767 -10.622
    6    HD2  HIS  80           HD2      HIS  80   4.368  -1.189  -9.844
    7    HE1  HIS  80           HE1      HIS  80   7.552   1.395 -10.850
    8    HE2  HIS  80           HE2      HIS  80   6.918  -1.020 -10.379

  No H/Q in entry =           8
  In of MODEL   43
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   43
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   43
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   43
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   43
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   43
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   43
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   43
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   43
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   43
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   43
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   43
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   43
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   43
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   43
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   43
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   43
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   43
    1    H    PHE   9           H        PHE   9 -21.292   0.643  -3.911
    2    HA   PHE   9           HA       PHE   9 -18.530   1.537  -4.529
    3    HB2  PHE   9           HB2      PHE   9 -20.366   2.457  -2.311
    4    HB3  PHE   9           HB3      PHE   9 -18.658   2.874  -2.430
    5    HD1  PHE   9           HD1      PHE   9 -22.003   3.527  -3.676
    6    HD2  PHE   9           HD2      PHE   9 -17.823   4.175  -4.412
    7    HE1  PHE   9           HE1      PHE   9 -22.565   5.370  -5.236
    8    HE2  PHE   9           HE2      PHE   9 -18.384   6.017  -5.976
    9    HZ   PHE   9           HZ       PHE   9 -20.756   6.615  -6.387

  No H/Q in entry =           9
  In of MODEL   43
    1    H    CYS  10           H        CYS  10 -16.940   0.945  -3.197
    2    HA   CYS  10           HA       CYS  10 -17.188  -0.700  -0.853
    3    HB2  CYS  10           HB2      CYS  10 -16.127  -2.676  -1.623
    4    HB3  CYS  10           HB3      CYS  10 -17.319  -2.307  -2.872

  No H/Q in entry =           4
  In of MODEL   43
    1    H    SER  11           H        SER  11 -14.471  -1.427  -0.377
    2    HA   SER  11           HA       SER  11 -13.447   1.162  -0.001
    3    HB2  SER  11           HB2      SER  11 -12.167  -1.554   0.138
    4    HB3  SER  11           HB3      SER  11 -11.216  -0.103   0.372
    5    HG   SER  11           HG       SER  11 -13.008  -1.308   2.022

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA  12           H        ALA  12 -12.204  -1.345  -2.357
    2    HA   ALA  12           HA       ALA  12 -10.833   0.894  -3.691
    3    HB1  ALA  12           HB1      ALA  12 -10.078  -1.817  -3.027
    4    HB3  ALA  12           HB2      ALA  12  -9.070  -0.494  -3.610
    5    HB2  ALA  12           HB3      ALA  12  -9.911  -1.533  -4.760

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLY  13           H        GLY  13 -13.091  -1.762  -4.200
    2    HA3  GLY  13           HA2      GLY  13 -14.823  -1.482  -5.868
    3    HA2  GLY  13           HA3      GLY  13 -13.636  -0.673  -6.884

  No H/Q in entry =           3
  In of MODEL   43
    1    H    MET  14           H        MET  14 -12.728  -3.623  -5.163
    2    HA   MET  14           HA       MET  14 -12.552  -4.922  -7.804
    3    HB2  MET  14           HB2      MET  14 -10.473  -4.647  -6.410
    4    HB3  MET  14           HB3      MET  14 -11.177  -5.784  -5.259
    5    HG2  MET  14           HG2      MET  14 -11.525  -7.282  -7.397
    6    HG3  MET  14           HG3      MET  14 -10.253  -6.269  -8.076
    7    HE2  MET  14           HE1      MET  14  -7.645  -7.010  -7.731
    8    HE1  MET  14           HE2      MET  14  -8.849  -7.999  -8.551
    9    HE3  MET  14           HE3      MET  14  -7.704  -8.754  -7.447

  No H/Q in entry =           9
  In of MODEL   43
    1    H    SER  15           H        SER  15 -12.860  -6.267  -4.542
    2    HA   SER  15           HA       SER  15 -14.073  -8.622  -5.196
    3    HB2  SER  15           HB2      SER  15 -15.124  -7.134  -2.822
    4    HB3  SER  15           HB3      SER  15 -14.729  -8.845  -2.987
    5    HG   SER  15           HG       SER  15 -12.507  -8.101  -3.280

  No H/Q in entry =           5
  In of MODEL   43
    1    H    THR  16           H        THR  16 -15.520  -5.460  -5.459
    2    HA   THR  16           HA       THR  16 -18.201  -6.677  -5.635
    3    HB   THR  16           HB       THR  16 -17.451  -3.760  -5.946
    4    HG1  THR  16           HG1      THR  16 -16.871  -4.632  -3.892
    5   HG22  THR  16          HG21      THR  16 -19.915  -3.619  -5.117
    6   HG21  THR  16          HG22      THR  16 -20.014  -5.305  -5.627
    7   HG23  THR  16          HG23      THR  16 -19.617  -4.050  -6.802

  No H/Q in entry =           7
  In of MODEL   43
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   43
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   43
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   43
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   43
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   43
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   43
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   43
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   43
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   43
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   43
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   43
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   43
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   43
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   43
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   43
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   43
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   43
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   43
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   43
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   43
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   43
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   43
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   43
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   43
    1    HA   PRO  58           HA       PRO  58 -23.311  -4.451   3.148
    2    HB2  PRO  58           HB2      PRO  58 -21.603  -6.873   3.254
    3    HB3  PRO  58           HB3      PRO  58 -23.364  -6.721   3.386
    4    HG2  PRO  58           HG2      PRO  58 -22.178  -7.716   1.201
    5    HG3  PRO  58           HG3      PRO  58 -23.676  -6.774   1.122
    6    HD2  PRO  58           HD2      PRO  58 -20.883  -5.928   0.415
    7    HD3  PRO  58           HD3      PRO  58 -22.438  -5.473  -0.321

  No H/Q in entry =           7
  In of MODEL   43
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   43
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   43
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   43
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   43
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   43
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   43
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   43
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   43
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   43
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   43
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   43
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   43
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   43
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   43
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   43
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   43
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   43
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   43
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   43
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   43
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   43
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   43
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   43
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   43
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   43
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   43
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   43
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   43
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   43
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   43
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   43
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   43
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   44
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   44
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.294 -14.294  -2.721
    4    HB3  GLU   5           HB3      GLU   5 -14.701 -13.914  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.548 -11.550  -2.373
    6    HG3  GLU   5           HG3      GLU   5 -13.112 -11.895  -3.337

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   44
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   44
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   44
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.708  -8.431   1.544
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.708   1.342
    5    HG2  MET   9           HG2      MET   9 -14.275  -6.794  -0.971
    6    HG3  MET   9           HG3      MET   9 -13.807  -8.484  -0.788
    7    HE3  MET   9           HE1      MET   9 -17.417  -6.730   0.518
    8    HE2  MET   9           HE2      MET   9 -17.799  -6.491  -1.183
    9    HE1  MET   9           HE3      MET   9 -16.291  -5.866  -0.532

  No H/Q in entry =           9
  In of MODEL   44
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   44
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.383   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.242  -6.172   0.970
    5   HG13  ILE  12          HG13      ILE  12  -9.702  -5.428  -0.548
    6   HG22  ILE  12          HG21      ILE  12  -8.739  -2.621   0.201
    7   HG21  ILE  12          HG22      ILE  12 -10.244  -2.039   0.914
    8   HG23  ILE  12          HG23      ILE  12 -10.271  -2.986  -0.579
    9   HD11  ILE  12          HD11      ILE  12  -7.622  -3.970  -0.283
   10   HD13  ILE  12          HD12      ILE  12  -7.334  -5.674  -0.588
   11   HD12  ILE  12          HD13      ILE  12  -7.179  -5.034   1.042

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.604   5.238
    4   HG12  ILE  13          HG12      ILE  13 -13.487  -3.055   2.662
    5   HG13  ILE  13          HG13      ILE  13 -14.907  -3.544   3.572
    6   HG23  ILE  13          HG21      ILE  13 -13.706  -1.810   6.727
    7   HG22  ILE  13          HG22      ILE  13 -15.155  -1.901   5.724
    8   HG21  ILE  13          HG23      ILE  13 -13.940  -0.661   5.408
    9   HD13  ILE  13          HD11      ILE  13 -15.747  -1.336   3.678
   10   HD12  ILE  13          HD12      ILE  13 -15.104  -1.457   2.046
   11   HD11  ILE  13          HD13      ILE  13 -14.177  -0.632   3.296

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   44
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   44
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   44
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   44
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   44
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   44
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   44
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   44
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   44
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   44
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   44
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   44
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   44
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   44
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   44
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   44
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   44
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   44
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   44
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.938  -6.672  10.556
    4    HB3  HIS  52           HB3      HIS  52  -1.116  -7.740  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.225 -10.053  11.826
    6    HD2  HIS  52           HD2      HIS  52   1.281  -7.229   8.948
    7    HE1  HIS  52           HE1      HIS  52   2.439 -10.812  10.857
    8    HE2  HIS  52           HE2      HIS  52   3.097  -9.099   9.101

  No H/Q in entry =           8
  In of MODEL   44
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   44
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   44
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   44
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.216  10.983
    4    HG1  THR  56           HG1      THR  56  -0.340 -12.052   9.885
    5   HG21  THR  56          HG21      THR  56   0.960 -15.679   9.966
    6   HG23  THR  56          HG22      THR  56   0.865 -15.206  11.661
    7   HG22  THR  56          HG23      THR  56   1.843 -14.264  10.538

  No H/Q in entry =           7
  In of MODEL   44
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   44
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.913
    4   HG12  ILE  59          HG12      ILE  59   2.384 -16.252   3.439
    5   HG13  ILE  59          HG13      ILE  59   1.136 -15.331   2.613
    6   HG21  ILE  59          HG21      ILE  59   1.119 -16.016   6.799
    7   HG23  ILE  59          HG22      ILE  59   2.392 -15.066   6.081
    8   HG22  ILE  59          HG23      ILE  59   2.281 -16.784   5.734
    9   HD11  ILE  59          HD11      ILE  59   1.911 -13.320   4.010
   10   HD13  ILE  59          HD12      ILE  59   2.991 -13.857   2.723
   11   HD12  ILE  59          HD13      ILE  59   3.332 -14.290   4.397

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   44
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   44
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   44
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   44
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   44
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   44
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   44
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   44
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LEU  74           H        LEU  74  -4.193 -13.634  -2.384
    2    HA   LEU  74           HA       LEU  74  -3.795 -12.454   0.116
    3    HB2  LEU  74           HB2      LEU  74  -2.869 -14.612  -0.541
    4    HB3  LEU  74           HB3      LEU  74  -1.859 -13.835  -1.756
    5    HG   LEU  74           HG       LEU  74  -0.701 -12.588   0.059
    6   HD11  LEU  74          HD11      LEU  74  -2.633 -14.188   1.730
    7   HD13  LEU  74          HD12      LEU  74  -2.267 -12.467   1.820
    8   HD12  LEU  74          HD13      LEU  74  -1.096 -13.649   2.404
    9   HD21  LEU  74          HD21      LEU  74  -0.106 -14.996  -0.853
   10   HD23  LEU  74          HD22      LEU  74  -0.606 -15.519   0.746
   11   HD22  LEU  74          HD23      LEU  74   0.724 -14.380   0.574

  No H/Q in entry =          11
  In of MODEL   44
    1    H    VAL  75           H        VAL  75  -2.674 -11.565  -3.038
    2    HA   VAL  75           HA       VAL  75  -0.705  -9.661  -2.227
    3    HB   VAL  75           HB       VAL  75  -2.220 -10.086  -4.814
    4   HG11  VAL  75          HG11      VAL  75  -0.053  -8.071  -4.158
    5   HG13  VAL  75          HG12      VAL  75  -1.692  -7.724  -4.707
    6   HG12  VAL  75          HG13      VAL  75  -0.542  -8.493  -5.798
    7   HG23  VAL  75          HG21      VAL  75   0.701 -10.515  -4.077
    8   HG22  VAL  75          HG22      VAL  75  -0.064 -10.939  -5.608
    9   HG21  VAL  75          HG23      VAL  75  -0.518 -11.789  -4.133

  No H/Q in entry =           9
  In of MODEL   44
    1    H    HIS  76           H        HIS  76  -4.394  -9.271  -3.360
    2    HA   HIS  76           HA       HIS  76  -4.711  -6.497  -3.186
    3    HB2  HIS  76           HB2      HIS  76  -6.457  -8.068  -4.068
    4    HB3  HIS  76           HB3      HIS  76  -6.808  -8.554  -2.415
    5    HD1  HIS  76           HD1      HIS  76  -6.041  -4.939  -2.790
    6    HD2  HIS  76           HD2      HIS  76  -9.477  -7.325  -2.909
    7    HE1  HIS  76           HE1      HIS  76  -8.030  -3.359  -2.613

  No H/Q in entry =           7
  In of MODEL   44
    1    H    ALA  77           H        ALA  77  -4.717  -8.952  -0.666
    2    HA   ALA  77           HA       ALA  77  -5.528  -7.099   1.408
    3    HB1  ALA  77           HB1      ALA  77  -4.635  -9.974   1.376
    4    HB3  ALA  77           HB2      ALA  77  -6.199  -9.306   1.841
    5    HB2  ALA  77           HB3      ALA  77  -4.803  -9.095   2.897

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLN  78           H        GLN  78  -2.470  -8.793   0.538
    2    HA   GLN  78           HA       GLN  78  -0.947  -7.698   2.632
    3    HB2  GLN  78           HB2      GLN  78  -0.354  -9.642   1.076
    4    HB3  GLN  78           HB3      GLN  78   0.144  -8.418  -0.091
    5    HG2  GLN  78           HG2      GLN  78   1.716  -7.485   1.562
    6    HG3  GLN  78           HG3      GLN  78   1.228  -8.717   2.723
    7   HE21  GLN  78          HE21      GLN  78   3.938  -8.588   1.908
    8   HE22  GLN  78          HE22      GLN  78   4.289  -9.940   0.944

  No H/Q in entry =           8
  In of MODEL   44
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   44
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.179
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.800   2.200
    5    HD1  HIS  80           HD1      HIS  80  -6.754  -0.991   1.170
    6    HD2  HIS  80           HD2      HIS  80  -4.998  -3.428  -1.722
    7    HE1  HIS  80           HE1      HIS  80  -7.620  -0.180  -1.075
    8    HE2  HIS  80           HE2      HIS  80  -6.556  -1.660  -2.847

  No H/Q in entry =           8
  In of MODEL   44
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   44
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   44
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   44
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   44
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   44
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   44
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   44
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   44
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   44
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   44
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   44
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   44
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   44
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.463 -20.454  -4.431
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.874  -3.426
    5    HG2  GLU   5           HG2      GLU   5  10.798 -19.781  -1.491
    6    HG3  GLU   5           HG3      GLU   5   9.411 -19.341  -2.488

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   44
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   44
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   44
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.035 -16.707   0.856
    4    HB3  MET   9           HB3      MET   9  13.731 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.341 -16.590   2.248
    6    HG3  MET   9           HG3      MET   9  11.580 -17.038   0.558
    7    HE3  MET   9           HE1      MET   9  13.940 -18.315   3.823
    8    HE2  MET   9           HE2      MET   9  12.510 -19.169   4.396
    9    HE1  MET   9           HE3      MET   9  12.421 -17.442   4.058

  No H/Q in entry =           9
  In of MODEL   44
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   44
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.310
    4   HG12  ILE  12          HG12      ILE  12  10.849 -11.563  -0.013
    5   HG13  ILE  12          HG13      ILE  12   9.635 -12.254   1.044
    6   HG21  ILE  12          HG21      ILE  12   9.722  -9.773   3.054
    7   HG23  ILE  12          HG22      ILE  12  10.857 -10.577   4.138
    8   HG22  ILE  12          HG23      ILE  12   9.521 -11.483   3.429
    9   HD11  ILE  12          HD11      ILE  12   8.799  -9.866   1.379
   10   HD13  ILE  12          HD12      ILE  12   8.557 -10.551  -0.218
   11   HD12  ILE  12          HD13      ILE  12   9.874  -9.420   0.063

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.634   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.801 -12.607   4.678
    5   HG13  ILE  13          HG13      ILE  13  15.278 -13.529   4.935
    6   HG23  ILE  13          HG21      ILE  13  17.364 -10.405   5.433
    7   HG22  ILE  13          HG22      ILE  13  17.077 -11.964   6.206
    8   HG21  ILE  13          HG23      ILE  13  16.114 -10.560   6.667
    9   HD13  ILE  13          HD11      ILE  13  15.372 -12.964   7.228
   10   HD12  ILE  13          HD12      ILE  13  13.656 -13.240   6.942
   11   HD11  ILE  13          HD13      ILE  13  14.281 -11.594   7.023

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   44
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   44
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   44
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   44
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   44
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   44
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   44
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   44
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   44
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   44
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   44
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   44
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   44
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   44
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   44
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   44
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   44
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   44
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   44
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.307  -1.676  -5.689
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.646
    5    HD1  HIS  52           HD1      HIS  52  17.451  -2.001  -9.294
    6    HD2  HIS  52           HD2      HIS  52  14.032  -0.962  -7.146
    7    HE1  HIS  52           HE1      HIS  52  15.781  -1.126 -10.985
    8    HE2  HIS  52           HE2      HIS  52  13.692  -0.487  -9.692

  No H/Q in entry =           8
  In of MODEL   44
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   44
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   44
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   44
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.061
    4    HG1  THR  56           HG1      THR  56  16.237  -4.252 -10.496
    5   HG21  THR  56          HG21      THR  56  16.278  -5.081 -14.266
    6   HG23  THR  56          HG22      THR  56  17.777  -4.197 -13.986
    7   HG22  THR  56          HG23      THR  56  16.230  -3.457 -13.581

  No H/Q in entry =           7
  In of MODEL   44
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   44
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.839  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.891  -7.029 -14.836
    5   HG13  ILE  59          HG13      ILE  59   9.523  -7.853 -13.328
    6   HG21  ILE  59          HG21      ILE  59  13.405  -6.455 -14.315
    7   HG23  ILE  59          HG22      ILE  59  12.106  -5.313 -14.088
    8   HG22  ILE  59          HG23      ILE  59  12.076  -6.408 -15.460
    9   HD11  ILE  59          HD11      ILE  59  10.174  -5.667 -12.153
   10   HD13  ILE  59          HD12      ILE  59   8.653  -5.664 -13.044
   11   HD12  ILE  59          HD13      ILE  59  10.089  -4.922 -13.748

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   44
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   44
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   44
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   44
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   44
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   44
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   44
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   44
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LEU  74           H        LEU  74   6.931 -13.094  -8.623
    2    HA   LEU  74           HA       LEU  74   8.867 -11.150  -8.082
    3    HB2  LEU  74           HB2      LEU  74   8.210 -11.826 -10.330
    4    HB3  LEU  74           HB3      LEU  74   6.589 -11.187 -10.076
    5    HG   LEU  74           HG       LEU  74   7.567  -8.916  -9.797
    6   HD11  LEU  74          HD11      LEU  74  10.097 -10.472 -10.315
    7   HD13  LEU  74          HD12      LEU  74   9.777  -9.282  -9.054
    8   HD12  LEU  74          HD13      LEU  74   9.996  -8.761 -10.724
    9   HD21  LEU  74          HD21      LEU  74   6.853 -10.076 -12.061
   10   HD23  LEU  74          HD22      LEU  74   8.574 -10.047 -12.402
   11   HD22  LEU  74          HD23      LEU  74   7.714  -8.540 -12.110

  No H/Q in entry =          11
  In of MODEL   44
    1    H    VAL  75           H        VAL  75   5.403 -11.102  -7.750
    2    HA   VAL  75           HA       VAL  75   5.072  -8.341  -7.169
    3    HB   VAL  75           HB       VAL  75   3.414 -10.788  -6.525
    4   HG11  VAL  75          HG11      VAL  75   2.812  -7.872  -5.947
    5   HG13  VAL  75          HG12      VAL  75   2.993  -9.162  -4.759
    6   HG12  VAL  75          HG13      VAL  75   1.623  -9.172  -5.868
    7   HG23  VAL  75          HG21      VAL  75   2.954  -8.449  -8.415
    8   HG22  VAL  75          HG22      VAL  75   1.934  -9.878  -8.258
    9   HG21  VAL  75          HG23      VAL  75   3.567 -10.030  -8.902

  No H/Q in entry =           9
  In of MODEL   44
    1    H    HIS  76           H        HIS  76   5.549 -11.263  -4.995
    2    HA   HIS  76           HA       HIS  76   5.327  -9.960  -2.524
    3    HB2  HIS  76           HB2      HIS  76   5.595 -12.493  -3.056
    4    HB3  HIS  76           HB3      HIS  76   7.326 -12.162  -2.956
    5    HD1  HIS  76           HD1      HIS  76   8.044 -12.914  -0.684
    6    HD2  HIS  76           HD2      HIS  76   4.437 -10.826  -0.540
    7    HE1  HIS  76           HE1      HIS  76   7.442 -12.690   1.765

  No H/Q in entry =           7
  In of MODEL   44
    1    H    ALA  77           H        ALA  77   8.166 -10.463  -4.602
    2    HA   ALA  77           HA       ALA  77   9.990  -9.171  -2.828
    3    HB2  ALA  77           HB1      ALA  77  10.079  -9.975  -5.724
    4    HB1  ALA  77           HB2      ALA  77  11.015 -10.604  -4.369
    5    HB3  ALA  77           HB3      ALA  77  11.379  -9.008  -5.025

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLN  78           H        GLN  78   8.158  -8.072  -5.685
    2    HA   GLN  78           HA       GLN  78   9.297  -5.483  -5.780
    3    HB2  GLN  78           HB2      GLN  78   7.916  -6.699  -7.571
    4    HB3  GLN  78           HB3      GLN  78   6.496  -6.178  -6.665
    5    HG2  GLN  78           HG2      GLN  78   7.220  -3.834  -6.873
    6    HG3  GLN  78           HG3      GLN  78   8.637  -4.350  -7.786
    7   HE21  GLN  78          HE21      GLN  78   6.777  -2.589  -8.995
    8   HE22  GLN  78          HE22      GLN  78   5.950  -3.419 -10.223

  No H/Q in entry =           8
  In of MODEL   44
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   44
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.174  -7.449  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.036  -6.564   0.741
    5    HD1  HIS  80           HD1      HIS  80   9.411  -7.106   3.086
    6    HD2  HIS  80           HD2      HIS  80   6.422  -8.224   0.403
    7    HE1  HIS  80           HE1      HIS  80   7.623  -8.287   4.451
    8    HE2  HIS  80           HE2      HIS  80   5.795  -8.973   2.824

  No H/Q in entry =           8
  In of MODEL   44
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   44
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   44
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   44
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   44
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   44
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   44
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   44
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   44
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   44
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   44
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   44
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   44
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   44
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.094  -6.379 -21.744
    4    HB3  GLU   5           HB3      GLU   5   0.434  -5.140 -22.953
    5    HG2  GLU   5           HG2      GLU   5   2.489  -4.514 -21.765
    6    HG3  GLU   5           HG3      GLU   5   2.147  -5.706 -20.514

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   44
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   44
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   44
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.434 -21.000
    4    HB3  MET   9           HB3      MET   9   4.425   1.170 -20.552
    5    HG2  MET   9           HG2      MET   9   5.216  -0.957 -19.645
    6    HG3  MET   9           HG3      MET   9   3.654  -1.706 -19.976
    7    HE3  MET   9           HE1      MET   9   5.824   0.775 -22.616
    8    HE2  MET   9           HE2      MET   9   7.042  -0.497 -22.658
    9    HE1  MET   9           HE3      MET   9   6.532   0.175 -21.111

  No H/Q in entry =           9
  In of MODEL   44
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   44
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.475   1.686 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.666   0.279 -14.885
    5   HG13  ILE  12          HG13      ILE  12   4.211  -0.541 -14.954
    6   HG21  ILE  12          HG21      ILE  12   5.635   1.632 -13.092
    7   HG23  ILE  12          HG22      ILE  12   6.267   2.526 -14.476
    8   HG22  ILE  12          HG23      ILE  12   6.297   0.764 -14.476
    9   HD11  ILE  12          HD11      ILE  12   4.519   0.179 -12.526
   10   HD13  ILE  12          HD12      ILE  12   3.274  -1.022 -12.823
   11   HD12  ILE  12          HD13      ILE  12   2.830   0.660 -12.568

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.813 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.845   3.935 -17.776
    5   HG13  ILE  13          HG13      ILE  13   5.606   4.687 -19.350
    6   HG23  ILE  13          HG21      ILE  13   4.764   8.050 -17.830
    7   HG22  ILE  13          HG22      ILE  13   5.802   7.364 -19.079
    8   HG21  ILE  13          HG23      ILE  13   6.409   7.552 -17.434
    9   HD13  ILE  13          HD11      ILE  13   7.561   5.998 -19.152
   10   HD12  ILE  13          HD12      ILE  13   8.036   4.448 -18.459
   11   HD11  ILE  13          HD13      ILE  13   7.623   5.797 -17.402

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   44
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   44
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   44
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   44
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   44
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   44
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   44
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   44
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   44
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   44
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   44
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   44
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   44
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   44
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   44
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   44
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   44
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   44
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   44
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.027  -8.745
    4    HB3  HIS  52           HB3      HIS  52  -7.521   7.697  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.745   6.223  -9.265
    6    HD2  HIS  52           HD2      HIS  52  -6.578   5.080  -6.808
    7    HE1  HIS  52           HE1      HIS  52 -10.726   4.705  -7.499
    8    HE2  HIS  52           HE2      HIS  52  -8.810   4.002  -5.984

  No H/Q in entry =           8
  In of MODEL   44
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   44
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   44
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   44
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.901   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.024   3.652 -10.400
    5   HG21  THR  56          HG21      THR  56 -13.305   1.672 -10.737
    6   HG23  THR  56          HG22      THR  56 -13.816   3.355 -10.863
    7   HG22  THR  56          HG23      THR  56 -12.941   2.806  -9.436

  No H/Q in entry =           7
  In of MODEL   44
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   44
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.669  -1.966 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.920  -4.326  -9.000
    5   HG13  ILE  59          HG13      ILE  59  -9.333  -4.424  -9.746
    6   HG23  ILE  59          HG21      ILE  59 -11.931  -1.120 -10.314
    7   HG22  ILE  59          HG22      ILE  59 -11.497  -1.681  -8.720
    8   HG21  ILE  59          HG23      ILE  59 -12.550  -2.655  -9.733
    9   HD11  ILE  59          HD11      ILE  59  -8.808  -2.264  -8.396
   10   HD13  ILE  59          HD12      ILE  59  -8.826  -3.805  -7.542
   11   HD12  ILE  59          HD13      ILE  59 -10.212  -2.721  -7.432

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   44
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   44
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   44
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   44
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   44
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   44
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   44
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   44
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   44
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LEU  74           H        LEU  74  -3.299  -7.011 -13.330
    2    HA   LEU  74           HA       LEU  74  -3.865  -4.356 -12.690
    3    HB2  LEU  74           HB2      LEU  74  -5.526  -6.152 -12.711
    4    HB3  LEU  74           HB3      LEU  74  -4.726  -6.940 -11.358
    5    HG   LEU  74           HG       LEU  74  -5.205  -4.939  -9.957
    6   HD11  LEU  74          HD11      LEU  74  -6.490  -4.045 -12.534
    7   HD13  LEU  74          HD12      LEU  74  -5.388  -3.152 -11.488
    8   HD12  LEU  74          HD13      LEU  74  -7.055  -3.426 -10.984
    9   HD21  LEU  74          HD21      LEU  74  -6.784  -7.021 -10.352
   10   HD23  LEU  74          HD22      LEU  74  -7.802  -5.857 -11.182
   11   HD22  LEU  74          HD23      LEU  74  -7.404  -5.618  -9.485

  No H/Q in entry =          11
  In of MODEL   44
    1    H    VAL  75           H        VAL  75  -2.166  -6.813 -10.913
    2    HA   VAL  75           HA       VAL  75  -1.897  -5.431  -8.447
    3    HB   VAL  75           HB       VAL  75  -0.290  -7.646  -9.728
    4   HG11  VAL  75          HG11      VAL  75   0.055  -6.361  -7.001
    5   HG13  VAL  75          HG12      VAL  75   1.240  -6.386  -8.306
    6   HG12  VAL  75          HG13      VAL  75   0.799  -7.884  -7.487
    7   HG23  VAL  75          HG21      VAL  75  -2.140  -7.589  -7.312
    8   HG22  VAL  75          HG22      VAL  75  -1.380  -9.020  -8.009
    9   HG21  VAL  75          HG23      VAL  75  -2.606  -8.141  -8.920

  No H/Q in entry =           9
  In of MODEL   44
    1    H    HIS  76           H        HIS  76   0.296  -5.636 -11.382
    2    HA   HIS  76           HA       HIS  76   2.416  -4.096 -10.393
    3    HB2  HIS  76           HB2      HIS  76   2.166  -5.392 -12.652
    4    HB3  HIS  76           HB3      HIS  76   1.558  -3.851 -13.256
    5    HD1  HIS  76           HD1      HIS  76   3.476  -2.801 -14.468
    6    HD2  HIS  76           HD2      HIS  76   4.670  -4.444 -10.828
    7    HE1  HIS  76           HE1      HIS  76   5.914  -2.185 -14.170

  No H/Q in entry =           7
  In of MODEL   44
    1    H    ALA  77           H        ALA  77  -0.528  -3.085 -12.112
    2    HA   ALA  77           HA       ALA  77   0.132  -0.313 -12.114
    3    HB3  ALA  77           HB1      ALA  77  -2.399  -1.880 -12.556
    4    HB1  ALA  77           HB2      ALA  77  -1.468  -0.930 -13.713
    5    HB2  ALA  77           HB3      ALA  77  -2.438  -0.118 -12.486

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLN  78           H        GLN  78  -1.838  -2.348  -9.951
    2    HA   GLN  78           HA       GLN  78  -2.767  -0.218  -8.330
    3    HB2  GLN  78           HB2      GLN  78  -3.646  -2.626  -8.477
    4    HB3  GLN  78           HB3      GLN  78  -2.328  -3.051  -7.385
    5    HG2  GLN  78           HG2      GLN  78  -3.147  -1.395  -5.755
    6    HG3  GLN  78           HG3      GLN  78  -4.475  -0.984  -6.839
    7   HE21  GLN  78          HE21      GLN  78  -5.048  -1.994  -4.251
    8   HE22  GLN  78          HE22      GLN  78  -5.700  -3.554  -4.402

  No H/Q in entry =           8
  In of MODEL   44
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   44
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.312   0.895 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.972   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.417   2.759 -10.666
    6    HD2  HIS  80           HD2      HIS  80   4.376  -1.183  -9.801
    7    HE1  HIS  80           HE1      HIS  80   7.545   1.388 -10.883
    8    HE2  HIS  80           HE2      HIS  80   6.921  -1.019 -10.359

  No H/Q in entry =           8
  In of MODEL   44
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   44
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   44
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   44
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   44
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   44
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   44
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   44
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   44
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   44
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   44
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   44
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   44
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   44
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   44
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   44
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   44
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   44
    1    H    PHE   9           H        PHE   9 -21.288   0.641  -3.912
    2    HA   PHE   9           HA       PHE   9 -18.528   1.538  -4.534
    3    HB2  PHE   9           HB2      PHE   9 -20.358   2.452  -2.307
    4    HB3  PHE   9           HB3      PHE   9 -18.650   2.871  -2.432
    5    HD1  PHE   9           HD1      PHE   9 -22.002   3.491  -3.702
    6    HD2  PHE   9           HD2      PHE   9 -17.823   4.210  -4.376
    7    HE1  PHE   9           HE1      PHE   9 -22.572   5.336  -5.256
    8    HE2  PHE   9           HE2      PHE   9 -18.393   6.055  -5.934
    9    HZ   PHE   9           HZ       PHE   9 -20.767   6.618  -6.374

  No H/Q in entry =           9
  In of MODEL   44
    1    H    CYS  10           H        CYS  10 -16.926   0.931  -3.212
    2    HA   CYS  10           HA       CYS  10 -17.187  -0.726  -0.873
    3    HB2  CYS  10           HB2      CYS  10 -16.124  -2.694  -1.654
    4    HB3  CYS  10           HB3      CYS  10 -17.301  -2.312  -2.914

  No H/Q in entry =           4
  In of MODEL   44
    1    H    SER  11           H        SER  11 -14.476  -1.438  -0.366
    2    HA   SER  11           HA       SER  11 -13.453   1.148   0.019
    3    HB2  SER  11           HB2      SER  11 -12.553  -0.464   1.463
    4    HB3  SER  11           HB3      SER  11 -12.168  -1.564   0.155
    5    HG   SER  11           HG       SER  11 -10.447  -0.138   1.181

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA  12           H        ALA  12 -12.218  -1.341  -2.349
    2    HA   ALA  12           HA       ALA  12 -10.839   0.906  -3.660
    3    HB1  ALA  12           HB1      ALA  12 -10.102  -1.815  -3.029
    4    HB3  ALA  12           HB2      ALA  12  -9.088  -0.497  -3.612
    5    HB2  ALA  12           HB3      ALA  12  -9.946  -1.523  -4.761

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLY  13           H        GLY  13 -12.989  -1.833  -4.253
    2    HA3  GLY  13           HA2      GLY  13 -14.785  -1.493  -5.882
    3    HA2  GLY  13           HA3      GLY  13 -13.599  -0.696  -6.909

  No H/Q in entry =           3
  In of MODEL   44
    1    H    MET  14           H        MET  14 -12.707  -3.657  -5.184
    2    HA   MET  14           HA       MET  14 -12.558  -4.958  -7.825
    3    HB2  MET  14           HB2      MET  14 -10.468  -4.694  -6.439
    4    HB3  MET  14           HB3      MET  14 -11.170  -5.837  -5.295
    5    HG2  MET  14           HG2      MET  14 -11.545  -7.289  -7.481
    6    HG3  MET  14           HG3      MET  14 -10.222  -6.302  -8.099
    7    HE1  MET  14           HE1      MET  14  -8.097  -5.854  -6.870
    8    HE3  MET  14           HE2      MET  14  -7.824  -7.230  -7.934
    9    HE2  MET  14           HE3      MET  14  -7.156  -7.239  -6.305

  No H/Q in entry =           9
  In of MODEL   44
    1    H    SER  15           H        SER  15 -12.856  -6.286  -4.554
    2    HA   SER  15           HA       SER  15 -14.090  -8.636  -5.191
    3    HB2  SER  15           HB2      SER  15 -15.115  -7.116  -2.824
    4    HB3  SER  15           HB3      SER  15 -14.753  -8.836  -2.980
    5    HG   SER  15           HG       SER  15 -12.659  -7.078  -3.440

  No H/Q in entry =           5
  In of MODEL   44
    1    H    THR  16           H        THR  16 -15.521  -5.459  -5.461
    2    HA   THR  16           HA       THR  16 -18.201  -6.678  -5.633
    3    HB   THR  16           HB       THR  16 -17.450  -3.761  -5.943
    4    HG1  THR  16           HG1      THR  16 -18.420  -3.838  -3.702
    5   HG22  THR  16          HG21      THR  16 -19.924  -3.637  -5.108
    6   HG21  THR  16          HG22      THR  16 -20.012  -5.310  -5.664
    7   HG23  THR  16          HG23      THR  16 -19.610  -4.023  -6.801

  No H/Q in entry =           7
  In of MODEL   44
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   44
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   44
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   44
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   44
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   44
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   44
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   44
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   44
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   44
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   44
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   44
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   44
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   44
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   44
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   44
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   44
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   44
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   44
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   44
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   44
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   44
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   44
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   44
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   44
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   44
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   44
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   44
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   44
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   44
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   44
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   44
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   44
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   44
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   44
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   44
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   44
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   44
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   44
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   44
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   44
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   44
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   44
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   44
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   44
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   44
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   44
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   44
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   44
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   44
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   44
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   44
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   44
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   44
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   44
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   44
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   44
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   44
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   45
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   45
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.287 -14.281  -2.730
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.930  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.575 -11.559  -2.350
    6    HG3  GLU   5           HG3      GLU   5 -13.138 -11.873  -3.322

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   45
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   45
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   45
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.429   1.547
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.707   1.339
    5    HG2  MET   9           HG2      MET   9 -14.283  -6.798  -0.973
    6    HG3  MET   9           HG3      MET   9 -13.800  -8.483  -0.786
    7    HE3  MET   9           HE1      MET   9 -17.337  -6.692   0.519
    8    HE2  MET   9           HE2      MET   9 -17.862  -6.575  -1.157
    9    HE1  MET   9           HE3      MET   9 -16.326  -5.872  -0.674

  No H/Q in entry =           9
  In of MODEL   45
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   45
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.938  -4.406   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.199  -6.156   0.950
    5   HG13  ILE  12          HG13      ILE  12  -9.681  -5.408  -0.560
    6   HG23  ILE  12          HG21      ILE  12 -10.361  -2.067   0.899
    7   HG22  ILE  12          HG22      ILE  12 -10.224  -2.978  -0.607
    8   HG21  ILE  12          HG23      ILE  12  -8.775  -2.550   0.312
    9   HD12  ILE  12          HD11      ILE  12  -7.147  -4.915   1.016
   10   HD11  ILE  12          HD12      ILE  12  -7.658  -3.916  -0.332
   11   HD13  ILE  12          HD13      ILE  12  -7.309  -5.621  -0.584

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.236
    4   HG12  ILE  13          HG12      ILE  13 -13.490  -3.063   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.916  -3.533   3.575
    6   HG22  ILE  13          HG21      ILE  13 -15.153  -1.904   5.730
    7   HG21  ILE  13          HG22      ILE  13 -13.942  -0.662   5.409
    8   HG23  ILE  13          HG23      ILE  13 -13.701  -1.809   6.728
    9   HD11  ILE  13          HD11      ILE  13 -14.188  -0.624   3.346
   10   HD13  ILE  13          HD12      ILE  13 -15.765  -1.350   3.627
   11   HD12  ILE  13          HD13      ILE  13 -15.035  -1.427   2.026

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   45
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   45
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   45
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   45
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   45
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   45
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   45
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   45
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   45
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   45
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   45
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   45
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   45
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   45
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   45
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   45
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   45
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   45
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   45
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   45
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.959  -6.663  10.583
    4    HB3  HIS  52           HB3      HIS  52  -1.098  -7.770  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.190 -10.146  11.612
    6    HD2  HIS  52           HD2      HIS  52   1.327  -7.055   9.057
    7    HE1  HIS  52           HE1      HIS  52   2.422 -10.820  10.622
    8    HE2  HIS  52           HE2      HIS  52   3.130  -8.944   9.063

  No H/Q in entry =           8
  In of MODEL   45
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   45
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   45
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   45
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.144 -14.017  10.974
    4    HG1  THR  56           HG1      THR  56   0.516 -12.549  11.439
    5   HG21  THR  56          HG21      THR  56   0.980 -15.640   9.866
    6   HG23  THR  56          HG22      THR  56   0.311 -15.664  11.497
    7   HG22  THR  56          HG23      THR  56   1.635 -14.569  11.104

  No H/Q in entry =           7
  In of MODEL   45
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   45
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.300 -14.625   4.866
    4   HG12  ILE  59          HG12      ILE  59   2.432 -16.295   3.526
    5   HG13  ILE  59          HG13      ILE  59   1.209 -15.419   2.618
    6   HG23  ILE  59          HG21      ILE  59   1.927 -14.944   6.445
    7   HG22  ILE  59          HG22      ILE  59   2.574 -16.355   5.651
    8   HG21  ILE  59          HG23      ILE  59   1.137 -16.497   6.650
    9   HD12  ILE  59          HD11      ILE  59   3.349 -14.296   4.416
   10   HD11  ILE  59          HD12      ILE  59   1.927 -13.351   3.975
   11   HD13  ILE  59          HD13      ILE  59   3.033 -13.916   2.723

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   45
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   45
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   45
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   45
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   45
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   45
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   45
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   45
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LEU  74           H        LEU  74  -4.293 -13.684  -2.343
    2    HA   LEU  74           HA       LEU  74  -3.898 -12.581   0.168
    3    HB2  LEU  74           HB2      LEU  74  -2.992 -14.725  -0.487
    4    HB3  LEU  74           HB3      LEU  74  -1.983 -13.970  -1.716
    5    HG   LEU  74           HG       LEU  74  -0.742 -12.776   0.058
    6   HD11  LEU  74          HD11      LEU  74  -2.726 -14.238   1.795
    7   HD13  LEU  74          HD12      LEU  74  -2.287 -12.532   1.829
    8   HD12  LEU  74          HD13      LEU  74  -1.159 -13.745   2.435
    9   HD23  LEU  74          HD21      LEU  74  -0.765 -15.685   0.854
   10   HD22  LEU  74          HD22      LEU  74   0.604 -14.624   0.572
   11   HD21  LEU  74          HD23      LEU  74  -0.316 -15.245  -0.792

  No H/Q in entry =          11
  In of MODEL   45
    1    H    VAL  75           H        VAL  75  -2.615 -11.617  -2.914
    2    HA   VAL  75           HA       VAL  75  -0.676  -9.777  -1.877
    3    HB   VAL  75           HB       VAL  75  -1.953  -9.914  -4.627
    4   HG11  VAL  75          HG11      VAL  75   0.256  -8.296  -3.429
    5   HG13  VAL  75          HG12      VAL  75  -0.927  -7.844  -4.655
    6   HG12  VAL  75          HG13      VAL  75   0.449  -8.856  -5.088
    7   HG21  VAL  75          HG21      VAL  75  -0.681 -11.983  -3.724
    8   HG23  VAL  75          HG22      VAL  75   0.765 -10.980  -3.824
    9   HG22  VAL  75          HG23      VAL  75  -0.163 -11.334  -5.279

  No H/Q in entry =           9
  In of MODEL   45
    1    H    HIS  76           H        HIS  76  -4.274  -9.372  -3.238
    2    HA   HIS  76           HA       HIS  76  -4.601  -6.599  -3.158
    3    HB2  HIS  76           HB2      HIS  76  -6.324  -8.174  -4.047
    4    HB3  HIS  76           HB3      HIS  76  -6.708  -8.651  -2.399
    5    HD1  HIS  76           HD1      HIS  76  -5.966  -5.031  -2.793
    6    HD2  HIS  76           HD2      HIS  76  -9.376  -7.451  -2.949
    7    HE1  HIS  76           HE1      HIS  76  -7.972  -3.469  -2.669

  No H/Q in entry =           7
  In of MODEL   45
    1    H    ALA  77           H        ALA  77  -4.682  -8.970  -0.588
    2    HA   ALA  77           HA       ALA  77  -5.508  -7.062   1.436
    3    HB3  ALA  77           HB1      ALA  77  -6.231  -9.216   1.957
    4    HB2  ALA  77           HB2      ALA  77  -4.788  -9.057   2.959
    5    HB1  ALA  77           HB3      ALA  77  -4.715  -9.962   1.448

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLN  78           H        GLN  78  -2.481  -8.762   0.546
    2    HA   GLN  78           HA       GLN  78  -0.915  -7.697   2.636
    3    HB2  GLN  78           HB2      GLN  78  -0.369  -9.641   1.057
    4    HB3  GLN  78           HB3      GLN  78   0.130  -8.412  -0.105
    5    HG2  GLN  78           HG2      GLN  78   1.714  -7.503   1.568
    6    HG3  GLN  78           HG3      GLN  78   1.247  -8.780   2.689
    7   HE21  GLN  78          HE21      GLN  78   1.054 -10.211  -0.295
    8   HE22  GLN  78          HE22      GLN  78   2.625 -10.845  -0.406

  No H/Q in entry =           8
  In of MODEL   45
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   45
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.177
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.802   2.201
    5    HD1  HIS  80           HD1      HIS  80  -6.723  -0.966   1.172
    6    HD2  HIS  80           HD2      HIS  80  -5.030  -3.447  -1.719
    7    HE1  HIS  80           HE1      HIS  80  -7.599  -0.157  -1.071
    8    HE2  HIS  80           HE2      HIS  80  -6.572  -1.664  -2.842

  No H/Q in entry =           8
  In of MODEL   45
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   45
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   45
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   45
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   45
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   45
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   45
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   45
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   45
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   45
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   45
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   45
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   45
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   45
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   45
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.418 -20.429  -4.405
    4    HB3  GLU   5           HB3      GLU   5  11.852 -20.885  -3.482
    5    HG2  GLU   5           HG2      GLU   5  10.911 -19.845  -1.469
    6    HG3  GLU   5           HG3      GLU   5   9.490 -19.336  -2.380

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   45
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   45
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   45
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.037 -16.707   0.857
    4    HB3  MET   9           HB3      MET   9  13.730 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.345 -16.598   2.252
    6    HG3  MET   9           HG3      MET   9  11.576 -17.029   0.557
    7    HE3  MET   9           HE1      MET   9  13.914 -18.197   3.793
    8    HE2  MET   9           HE2      MET   9  12.627 -19.266   4.347
    9    HE1  MET   9           HE3      MET   9  12.296 -17.553   4.098

  No H/Q in entry =           9
  In of MODEL   45
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   45
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.954   2.303
    4   HG12  ILE  12          HG12      ILE  12  10.837 -11.558  -0.013
    5   HG13  ILE  12          HG13      ILE  12   9.624 -12.244   1.049
    6   HG23  ILE  12          HG21      ILE  12  10.870 -10.615   4.145
    7   HG22  ILE  12          HG22      ILE  12   9.503 -11.465   3.423
    8   HG21  ILE  12          HG23      ILE  12   9.761  -9.755   3.080
    9   HD12  ILE  12          HD11      ILE  12   9.858  -9.389   0.095
   10   HD11  ILE  12          HD12      ILE  12   8.796  -9.872   1.405
   11   HD13  ILE  12          HD13      ILE  12   8.560 -10.534  -0.206

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.101 -11.637   3.844
    4   HG12  ILE  13          HG12      ILE  13  13.805 -12.611   4.677
    5   HG13  ILE  13          HG13      ILE  13  15.282 -13.528   4.949
    6   HG22  ILE  13          HG21      ILE  13  17.080 -11.962   6.202
    7   HG21  ILE  13          HG22      ILE  13  16.121 -10.557   6.665
    8   HG23  ILE  13          HG23      ILE  13  17.367 -10.405   5.425
    9   HD11  ILE  13          HD11      ILE  13  14.341 -11.574   7.035
   10   HD13  ILE  13          HD12      ILE  13  15.337 -13.015   7.231
   11   HD12  ILE  13          HD13      ILE  13  13.606 -13.173   6.936

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   45
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   45
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   45
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   45
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   45
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   45
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   45
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   45
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   45
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   45
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   45
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   45
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   45
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   45
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   45
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   45
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   45
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   45
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   45
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   45
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.337  -1.676  -5.674
    4    HB3  HIS  52           HB3      HIS  52  17.783  -1.774  -6.680
    5    HD1  HIS  52           HD1      HIS  52  17.293  -2.155  -9.330
    6    HD2  HIS  52           HD2      HIS  52  14.084  -0.802  -7.040
    7    HE1  HIS  52           HE1      HIS  52  15.589  -1.235 -10.961
    8    HE2  HIS  52           HE2      HIS  52  13.626  -0.404  -9.580

  No H/Q in entry =           8
  In of MODEL   45
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   45
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   45
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   45
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.808  -5.392 -11.864
    4    HG1  THR  56           HG1      THR  56  17.351  -3.211 -11.510
    5   HG21  THR  56          HG21      THR  56  16.177  -5.093 -14.234
    6   HG23  THR  56          HG22      THR  56  17.923  -4.916 -14.069
    7   HG22  THR  56          HG23      THR  56  16.869  -3.533 -13.792

  No H/Q in entry =           7
  In of MODEL   45
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   45
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.795  -7.175 -12.515
    4   HG12  ILE  59          HG12      ILE  59   9.954  -6.982 -14.905
    5   HG13  ILE  59          HG13      ILE  59   9.510  -7.839 -13.437
    6   HG23  ILE  59          HG21      ILE  59  12.597  -5.446 -13.785
    7   HG22  ILE  59          HG22      ILE  59  11.827  -6.016 -15.243
    8   HG21  ILE  59          HG23      ILE  59  13.334  -6.743 -14.710
    9   HD12  ILE  59          HD11      ILE  59  10.096  -4.904 -13.770
   10   HD11  ILE  59          HD12      ILE  59  10.146  -5.680 -12.187
   11   HD13  ILE  59          HD13      ILE  59   8.646  -5.662 -13.113

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   45
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   45
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   45
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   45
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   45
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   45
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   45
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   45
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LEU  74           H        LEU  74   7.017 -13.175  -8.612
    2    HA   LEU  74           HA       LEU  74   8.957 -11.246  -8.139
    3    HB2  LEU  74           HB2      LEU  74   8.317 -11.961 -10.363
    4    HB3  LEU  74           HB3      LEU  74   6.687 -11.336 -10.138
    5    HG   LEU  74           HG       LEU  74   7.605  -9.046  -9.961
    6   HD11  LEU  74          HD11      LEU  74  10.197 -10.549 -10.316
    7   HD13  LEU  74          HD12      LEU  74   9.791  -9.331  -9.108
    8   HD12  LEU  74          HD13      LEU  74  10.063  -8.855 -10.784
    9   HD23  LEU  74          HD21      LEU  74   8.769 -10.232 -12.479
   10   HD22  LEU  74          HD22      LEU  74   7.805  -8.780 -12.281
   11   HD21  LEU  74          HD23      LEU  74   7.036 -10.360 -12.185

  No H/Q in entry =          11
  In of MODEL   45
    1    H    VAL  75           H        VAL  75   5.481 -11.041  -7.864
    2    HA   VAL  75           HA       VAL  75   5.355  -8.238  -7.357
    3    HB   VAL  75           HB       VAL  75   3.422 -10.450  -6.600
    4   HG11  VAL  75          HG11      VAL  75   3.329  -7.461  -6.394
    5   HG13  VAL  75          HG12      VAL  75   2.708  -8.677  -5.278
    6   HG12  VAL  75          HG13      VAL  75   1.844  -8.332  -6.776
    7   HG21  VAL  75          HG21      VAL  75   4.008 -10.058  -9.088
    8   HG23  VAL  75          HG22      VAL  75   3.194  -8.505  -8.911
    9   HG22  VAL  75          HG23      VAL  75   2.301 -10.001  -8.650

  No H/Q in entry =           9
  In of MODEL   45
    1    H    HIS  76           H        HIS  76   5.546 -11.167  -5.162
    2    HA   HIS  76           HA       HIS  76   5.254  -9.880  -2.696
    3    HB2  HIS  76           HB2      HIS  76   5.378 -12.369  -3.062
    4    HB3  HIS  76           HB3      HIS  76   7.126 -12.194  -3.234
    5    HD1  HIS  76           HD1      HIS  76   5.197 -10.087  -0.797
    6    HD2  HIS  76           HD2      HIS  76   7.683 -13.433  -0.727
    7    HE1  HIS  76           HE1      HIS  76   5.772 -10.502   1.634

  No H/Q in entry =           7
  In of MODEL   45
    1    H    ALA  77           H        ALA  77   8.177 -10.434  -4.642
    2    HA   ALA  77           HA       ALA  77   9.944  -9.154  -2.799
    3    HB1  ALA  77           HB1      ALA  77  11.070 -10.554  -4.270
    4    HB3  ALA  77           HB2      ALA  77  11.374  -8.977  -4.997
    5    HB2  ALA  77           HB3      ALA  77  10.126 -10.027  -5.665

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLN  78           H        GLN  78   8.164  -8.069  -5.666
    2    HA   GLN  78           HA       GLN  78   9.288  -5.471  -5.794
    3    HB2  GLN  78           HB2      GLN  78   7.899  -6.719  -7.563
    4    HB3  GLN  78           HB3      GLN  78   6.485  -6.187  -6.654
    5    HG2  GLN  78           HG2      GLN  78   7.230  -3.843  -6.887
    6    HG3  GLN  78           HG3      GLN  78   8.615  -4.384  -7.833
    7   HE21  GLN  78          HE21      GLN  78   6.213  -6.503  -8.657
    8   HE22  GLN  78          HE22      GLN  78   5.567  -5.694 -10.002

  No H/Q in entry =           8
  In of MODEL   45
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   45
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.171  -7.450  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.037  -6.564   0.739
    5    HD1  HIS  80           HD1      HIS  80   9.403  -7.079   3.090
    6    HD2  HIS  80           HD2      HIS  80   6.434  -8.246   0.406
    7    HE1  HIS  80           HE1      HIS  80   7.621  -8.264   4.459
    8    HE2  HIS  80           HE2      HIS  80   5.805  -8.979   2.831

  No H/Q in entry =           8
  In of MODEL   45
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   45
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   45
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   45
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   45
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   45
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   45
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   45
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   45
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   45
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   45
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   45
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   45
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   45
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   45
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.111  -6.383 -21.726
    4    HB3  GLU   5           HB3      GLU   5   0.413  -5.154 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.477  -4.483 -21.801
    6    HG3  GLU   5           HG3      GLU   5   2.174  -5.675 -20.540

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   45
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   45
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   45
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.436 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.219  -0.957 -19.653
    6    HG3  MET   9           HG3      MET   9   3.654  -1.705 -19.968
    7    HE3  MET   9           HE1      MET   9   5.797   0.804 -22.498
    8    HE2  MET   9           HE2      MET   9   6.971  -0.478 -22.787
    9    HE1  MET   9           HE3      MET   9   6.634   0.044 -21.138

  No H/Q in entry =           9
  In of MODEL   45
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   45
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.469   1.682 -15.888
    4   HG12  ILE  12          HG12      ILE  12   2.670   0.273 -14.874
    5   HG13  ILE  12          HG13      ILE  12   4.218  -0.543 -14.941
    6   HG23  ILE  12          HG21      ILE  12   6.274   2.518 -14.518
    7   HG22  ILE  12          HG22      ILE  12   6.295   0.756 -14.453
    8   HG21  ILE  12          HG23      ILE  12   5.643   1.680 -13.101
    9   HD12  ILE  12          HD11      ILE  12   2.869   0.681 -12.534
   10   HD11  ILE  12          HD12      ILE  12   4.550   0.177 -12.534
   11   HD13  ILE  12          HD13      ILE  12   3.277  -1.005 -12.812

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.814 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.834   3.931 -17.783
    5   HG13  ILE  13          HG13      ILE  13   5.613   4.695 -19.354
    6   HG22  ILE  13          HG21      ILE  13   5.794   7.367 -19.081
    7   HG21  ILE  13          HG22      ILE  13   6.415   7.547 -17.440
    8   HG23  ILE  13          HG23      ILE  13   4.769   8.052 -17.820
    9   HD11  ILE  13          HD11      ILE  13   7.607   5.843 -17.415
   10   HD13  ILE  13          HD12      ILE  13   7.585   5.936 -19.175
   11   HD12  ILE  13          HD13      ILE  13   8.035   4.430 -18.378

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   45
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   45
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   45
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   45
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   45
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   45
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   45
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   45
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   45
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   45
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   45
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   45
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   45
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   45
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   45
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   45
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   45
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   45
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   45
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   45
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.058  -8.764
    4    HB3  HIS  52           HB3      HIS  52  -7.553   7.679  -9.495
    5    HD1  HIS  52           HD1      HIS  52  -9.688   5.999  -9.311
    6    HD2  HIS  52           HD2      HIS  52  -6.522   5.254  -6.705
    7    HE1  HIS  52           HE1      HIS  52 -10.600   4.501  -7.490
    8    HE2  HIS  52           HE2      HIS  52  -8.684   4.041  -5.885

  No H/Q in entry =           8
  In of MODEL   45
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   45
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   45
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   45
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.743   3.679 -12.061
    4    HG1  THR  56           HG1      THR  56 -11.548   4.589  -9.990
    5   HG21  THR  56          HG21      THR  56 -13.266   1.619 -10.768
    6   HG23  THR  56          HG22      THR  56 -13.844   3.148 -11.429
    7   HG22  THR  56          HG23      THR  56 -13.314   3.058  -9.751

  No H/Q in entry =           7
  In of MODEL   45
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   45
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.637  -2.001 -10.396
    4   HG12  ILE  59          HG12      ILE  59 -11.019  -4.277  -8.978
    5   HG13  ILE  59          HG13      ILE  59  -9.439  -4.479  -9.717
    6   HG23  ILE  59          HG21      ILE  59 -11.650  -0.912 -10.085
    7   HG22  ILE  59          HG22      ILE  59 -11.661  -1.955  -8.686
    8   HG21  ILE  59          HG23      ILE  59 -12.598  -2.388 -10.107
    9   HD12  ILE  59          HD11      ILE  59 -10.221  -2.752  -7.399
   10   HD11  ILE  59          HD12      ILE  59  -8.842  -2.292  -8.395
   11   HD13  ILE  59          HD13      ILE  59  -8.845  -3.843  -7.558

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   45
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   45
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   45
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   45
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   45
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   45
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   45
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   45
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   45
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LEU  74           H        LEU  74  -3.311  -7.010 -13.426
    2    HA   LEU  74           HA       LEU  74  -3.943  -4.376 -12.839
    3    HB2  LEU  74           HB2      LEU  74  -5.595  -6.149 -12.888
    4    HB3  LEU  74           HB3      LEU  74  -4.814  -6.973 -11.544
    5    HG   LEU  74           HG       LEU  74  -5.345  -5.049 -10.079
    6   HD11  LEU  74          HD11      LEU  74  -6.530  -4.008 -12.650
    7   HD13  LEU  74          HD12      LEU  74  -5.438  -3.189 -11.534
    8   HD12  LEU  74          HD13      LEU  74  -7.123  -3.449 -11.087
    9   HD23  LEU  74          HD21      LEU  74  -7.930  -5.832 -11.423
   10   HD22  LEU  74          HD22      LEU  74  -7.553  -5.745  -9.711
   11   HD21  LEU  74          HD23      LEU  74  -6.935  -7.079 -10.676

  No H/Q in entry =          11
  In of MODEL   45
    1    H    VAL  75           H        VAL  75  -2.323  -6.769 -10.881
    2    HA   VAL  75           HA       VAL  75  -2.201  -5.226  -8.488
    3    HB   VAL  75           HB       VAL  75  -0.410  -7.487  -9.416
    4   HG11  VAL  75          HG11      VAL  75  -0.668  -5.943  -6.857
    5   HG13  VAL  75          HG12      VAL  75   0.785  -6.548  -7.653
    6   HG12  VAL  75          HG13      VAL  75  -0.269  -7.659  -6.779
    7   HG21  VAL  75          HG21      VAL  75  -2.958  -7.893  -9.176
    8   HG23  VAL  75          HG22      VAL  75  -2.710  -7.635  -7.448
    9   HG22  VAL  75          HG23      VAL  75  -1.886  -8.960  -8.269

  No H/Q in entry =           9
  In of MODEL   45
    1    H    HIS  76           H        HIS  76   0.118  -5.669 -11.286
    2    HA   HIS  76           HA       HIS  76   2.276  -4.201 -10.289
    3    HB2  HIS  76           HB2      HIS  76   2.246  -5.526 -12.431
    4    HB3  HIS  76           HB3      HIS  76   1.363  -4.190 -13.171
    5    HD1  HIS  76           HD1      HIS  76   4.047  -3.565 -10.621
    6    HD2  HIS  76           HD2      HIS  76   3.579  -3.359 -14.758
    7    HE1  HIS  76           HE1      HIS  76   6.073  -2.334 -11.510

  No H/Q in entry =           7
  In of MODEL   45
    1    H    ALA  77           H        ALA  77  -0.590  -3.090 -12.075
    2    HA   ALA  77           HA       ALA  77   0.184  -0.340 -12.080
    3    HB1  ALA  77           HB1      ALA  77  -1.405  -0.815 -13.707
    4    HB3  ALA  77           HB2      ALA  77  -2.408  -0.091 -12.451
    5    HB2  ALA  77           HB3      ALA  77  -2.355  -1.844 -12.635

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLN  78           H        GLN  78  -1.833  -2.334  -9.956
    2    HA   GLN  78           HA       GLN  78  -2.773  -0.221  -8.318
    3    HB2  GLN  78           HB2      GLN  78  -3.635  -2.637  -8.485
    4    HB3  GLN  78           HB3      GLN  78  -2.319  -3.057  -7.390
    5    HG2  GLN  78           HG2      GLN  78  -3.159  -1.388  -5.768
    6    HG3  GLN  78           HG3      GLN  78  -4.502  -1.028  -6.850
    7   HE21  GLN  78          HE21      GLN  78  -3.963  -4.259  -7.305
    8   HE22  GLN  78          HE22      GLN  78  -5.025  -4.892  -6.142

  No H/Q in entry =           8
  In of MODEL   45
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   45
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.313   0.894 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.970   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.419   2.766 -10.645
    6    HD2  HIS  80           HD2      HIS  80   4.377  -1.184  -9.820
    7    HE1  HIS  80           HE1      HIS  80   7.549   1.399 -10.867
    8    HE2  HIS  80           HE2      HIS  80   6.924  -1.013 -10.367

  No H/Q in entry =           8
  In of MODEL   45
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   45
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   45
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   45
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   45
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   45
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   45
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   45
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   45
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   45
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   45
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   45
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   45
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   45
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   45
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   45
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   45
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   45
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   45
    1    H    PHE   9           H        PHE   9 -21.282   0.636  -3.916
    2    HA   PHE   9           HA       PHE   9 -18.526   1.533  -4.555
    3    HB2  PHE   9           HB2      PHE   9 -20.339   2.436  -2.311
    4    HB3  PHE   9           HB3      PHE   9 -18.632   2.853  -2.444
    5    HD1  PHE   9           HD1      PHE   9 -21.990   3.505  -3.665
    6    HD2  PHE   9           HD2      PHE   9 -17.816   4.182  -4.409
    7    HE1  PHE   9           HE1      PHE   9 -22.567   5.361  -5.205
    8    HE2  PHE   9           HE2      PHE   9 -18.392   6.037  -5.952
    9    HZ   PHE   9           HZ       PHE   9 -20.768   6.627  -6.349

  No H/Q in entry =           9
  In of MODEL   45
    1    H    CYS  10           H        CYS  10 -16.918   0.899  -3.281
    2    HA   CYS  10           HA       CYS  10 -17.190  -0.805  -0.964
    3    HB2  CYS  10           HB2      CYS  10 -16.106  -2.732  -1.775
    4    HB3  CYS  10           HB3      CYS  10 -17.203  -2.308  -3.093

  No H/Q in entry =           4
  In of MODEL   45
    1    H    SER  11           H        SER  11 -14.402  -1.479  -0.500
    2    HA   SER  11           HA       SER  11 -13.506   1.182  -0.079
    3    HB2  SER  11           HB2      SER  11 -11.211  -0.218   0.185
    4    HB3  SER  11           HB3      SER  11 -12.428  -0.135   1.441
    5    HG   SER  11           HG       SER  11 -11.712  -2.211  -0.221

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA  12           H        ALA  12 -12.170  -1.343  -2.371
    2    HA   ALA  12           HA       ALA  12 -10.757   0.886  -3.671
    3    HB3  ALA  12           HB1      ALA  12  -9.028  -0.539  -3.610
    4    HB2  ALA  12           HB2      ALA  12  -9.888  -1.556  -4.765
    5    HB1  ALA  12           HB3      ALA  12 -10.062  -1.847  -3.035

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLY  13           H        GLY  13 -12.830  -1.896  -4.333
    2    HA3  GLY  13           HA2      GLY  13 -14.663  -1.515  -5.933
    3    HA2  GLY  13           HA3      GLY  13 -13.477  -0.730  -6.968

  No H/Q in entry =           3
  In of MODEL   45
    1    H    MET  14           H        MET  14 -12.700  -3.725  -5.219
    2    HA   MET  14           HA       MET  14 -12.552  -5.033  -7.861
    3    HB2  MET  14           HB2      MET  14 -10.453  -4.767  -6.457
    4    HB3  MET  14           HB3      MET  14 -11.155  -5.949  -5.352
    5    HG2  MET  14           HG2      MET  14 -11.331  -7.581  -7.177
    6    HG3  MET  14           HG3      MET  14 -10.688  -6.400  -8.316
    7    HE1  MET  14           HE1      MET  14  -9.663  -8.883  -8.431
    8    HE3  MET  14           HE2      MET  14  -8.029  -9.180  -7.846
    9    HE2  MET  14           HE3      MET  14  -8.314  -7.913  -9.034

  No H/Q in entry =           9
  In of MODEL   45
    1    H    SER  15           H        SER  15 -12.843  -6.323  -4.570
    2    HA   SER  15           HA       SER  15 -14.098  -8.670  -5.182
    3    HB2  SER  15           HB2      SER  15 -15.117  -7.131  -2.828
    4    HB3  SER  15           HB3      SER  15 -14.740  -8.849  -2.967
    5    HG   SER  15           HG       SER  15 -12.656  -7.095  -3.456

  No H/Q in entry =           5
  In of MODEL   45
    1    H    THR  16           H        THR  16 -15.513  -5.473  -5.472
    2    HA   THR  16           HA       THR  16 -18.196  -6.688  -5.636
    3    HB   THR  16           HB       THR  16 -17.451  -3.770  -5.951
    4    HG1  THR  16           HG1      THR  16 -18.436  -3.898  -3.688
    5   HG21  THR  16          HG21      THR  16 -20.007  -5.323  -5.618
    6   HG23  THR  16          HG22      THR  16 -19.623  -4.055  -6.784
    7   HG22  THR  16          HG23      THR  16 -19.910  -3.641  -5.093

  No H/Q in entry =           7
  In of MODEL   45
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   45
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   45
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   45
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   45
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   45
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   45
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   45
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   45
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   45
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   45
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   45
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   45
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   45
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   45
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   45
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   45
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   45
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   45
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   45
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   45
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   45
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   45
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   45
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   45
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   45
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   45
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   45
    1    HA   PRO  58           HA       PRO  58 -23.311  -4.437   3.148
    2    HB2  PRO  58           HB2      PRO  58 -22.051  -6.860   3.697
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.667   2.791
    4    HG2  PRO  58           HG2      PRO  58 -20.795  -7.078   1.793
    5    HG3  PRO  58           HG3      PRO  58 -22.330  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.019  -5.615  -0.008
    7    HD3  PRO  58           HD3      PRO  58 -22.793  -5.739  -0.008

  No H/Q in entry =           7
  In of MODEL   45
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   45
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   45
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   45
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   45
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   45
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   45
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   45
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   45
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   45
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   45
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   45
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   45
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   45
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   45
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   45
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   45
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   45
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   45
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   45
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   45
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   45
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   45
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   45
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   45
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   45
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   45
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   45
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   45
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   45
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   45
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   45
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   45
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   45
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   45
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   45
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   45
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   45
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   46
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   46
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.288 -14.282  -2.730
    4    HB3  GLU   5           HB3      GLU   5 -14.695 -13.928  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.571 -11.557  -2.352
    6    HG3  GLU   5           HG3      GLU   5 -13.136 -11.876  -3.325

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   46
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   46
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   46
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.708  -8.430   1.545
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.708   1.341
    5    HG2  MET   9           HG2      MET   9 -14.274  -6.796  -0.972
    6    HG3  MET   9           HG3      MET   9 -13.807  -8.486  -0.786
    7    HE2  MET   9           HE1      MET   9 -17.782  -6.475  -1.189
    8    HE1  MET   9           HE2      MET   9 -16.289  -5.881  -0.470
    9    HE3  MET   9           HE3      MET   9 -17.444  -6.758   0.521

  No H/Q in entry =           9
  In of MODEL   46
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   46
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.383   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.250  -6.174   0.967
    5   HG13  ILE  12          HG13      ILE  12  -9.698  -5.423  -0.552
    6   HG22  ILE  12          HG21      ILE  12  -8.737  -2.609   0.221
    7   HG21  ILE  12          HG22      ILE  12 -10.264  -2.043   0.902
    8   HG23  ILE  12          HG23      ILE  12 -10.250  -2.994  -0.589
    9   HD12  ILE  12          HD11      ILE  12  -7.163  -5.010   1.044
   10   HD11  ILE  12          HD12      ILE  12  -7.637  -3.974  -0.291
   11   HD13  ILE  12          HD13      ILE  12  -7.338  -5.684  -0.568

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.492  -3.062   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.919  -3.528   3.575
    6   HG21  ILE  13          HG21      ILE  13 -13.940  -0.664   5.413
    7   HG23  ILE  13          HG22      ILE  13 -13.699  -1.813   6.729
    8   HG22  ILE  13          HG23      ILE  13 -15.152  -1.906   5.734
    9   HD13  ILE  13          HD11      ILE  13 -15.798  -1.372   3.566
   10   HD12  ILE  13          HD12      ILE  13 -14.961  -1.387   2.019
   11   HD11  ILE  13          HD13      ILE  13 -14.211  -0.622   3.417

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   46
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   46
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   46
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   46
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   46
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   46
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   46
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   46
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   46
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   46
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   46
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   46
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   46
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   46
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   46
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   46
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   46
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   46
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   46
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   46
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.924  -6.678  10.539
    4    HB3  HIS  52           HB3      HIS  52  -1.128  -7.720  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.272  -9.955  11.990
    6    HD2  HIS  52           HD2      HIS  52   1.224  -7.379   8.854
    7    HE1  HIS  52           HE1      HIS  52   2.467 -10.777  11.029
    8    HE2  HIS  52           HE2      HIS  52   3.062  -9.215   9.117

  No H/Q in entry =           8
  In of MODEL   46
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   46
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   46
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   46
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.217  10.983
    4    HG1  THR  56           HG1      THR  56  -0.426 -12.042   9.952
    5   HG23  THR  56          HG21      THR  56   0.898 -15.176  11.671
    6   HG22  THR  56          HG22      THR  56   1.849 -14.280  10.488
    7   HG21  THR  56          HG23      THR  56   0.926 -15.694   9.986

  No H/Q in entry =           7
  In of MODEL   46
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   46
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.633   4.909
    4   HG12  ILE  59          HG12      ILE  59   2.380 -16.261   3.439
    5   HG13  ILE  59          HG13      ILE  59   1.142 -15.327   2.615
    6   HG21  ILE  59          HG21      ILE  59   1.114 -16.004   6.803
    7   HG23  ILE  59          HG22      ILE  59   2.394 -15.067   6.079
    8   HG22  ILE  59          HG23      ILE  59   2.272 -16.786   5.744
    9   HD13  ILE  59          HD11      ILE  59   2.991 -13.856   2.726
   10   HD12  ILE  59          HD12      ILE  59   3.357 -14.319   4.388
   11   HD11  ILE  59          HD13      ILE  59   1.937 -13.334   4.041

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   46
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   46
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   46
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   46
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   46
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   46
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   46
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   46
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LEU  74           H        LEU  74  -4.279 -13.679  -2.359
    2    HA   LEU  74           HA       LEU  74  -3.898 -12.584   0.159
    3    HB2  LEU  74           HB2      LEU  74  -2.985 -14.724  -0.498
    4    HB3  LEU  74           HB3      LEU  74  -1.976 -13.964  -1.723
    5    HG   LEU  74           HG       LEU  74  -0.747 -12.766   0.062
    6   HD11  LEU  74          HD11      LEU  74  -2.730 -14.252   1.777
    7   HD13  LEU  74          HD12      LEU  74  -2.282 -12.549   1.840
    8   HD12  LEU  74          HD13      LEU  74  -1.161 -13.778   2.429
    9   HD21  LEU  74          HD21      LEU  74  -0.314 -15.252  -0.805
   10   HD23  LEU  74          HD22      LEU  74  -0.731 -15.663   0.849
   11   HD22  LEU  74          HD23      LEU  74   0.626 -14.590   0.530

  No H/Q in entry =          11
  In of MODEL   46
    1    H    VAL  75           H        VAL  75  -2.643 -11.594  -2.922
    2    HA   VAL  75           HA       VAL  75  -0.698  -9.759  -1.886
    3    HB   VAL  75           HB       VAL  75  -1.984  -9.875  -4.633
    4   HG13  VAL  75          HG11      VAL  75  -0.934  -7.825  -4.670
    5   HG12  VAL  75          HG12      VAL  75   0.446  -8.845  -5.077
    6   HG11  VAL  75          HG13      VAL  75   0.227  -8.276  -3.423
    7   HG22  VAL  75          HG21      VAL  75  -0.918 -11.987  -4.268
    8   HG21  VAL  75          HG22      VAL  75   0.450 -11.238  -3.445
    9   HG23  VAL  75          HG23      VAL  75   0.247 -11.028  -5.182

  No H/Q in entry =           9
  In of MODEL   46
    1    H    HIS  76           H        HIS  76  -4.294  -9.347  -3.254
    2    HA   HIS  76           HA       HIS  76  -4.626  -6.578  -3.158
    3    HB2  HIS  76           HB2      HIS  76  -6.349  -8.148  -4.052
    4    HB3  HIS  76           HB3      HIS  76  -6.729  -8.638  -2.407
    5    HD1  HIS  76           HD1      HIS  76  -5.995  -5.015  -2.755
    6    HD2  HIS  76           HD2      HIS  76  -9.401  -7.438  -2.966
    7    HE1  HIS  76           HE1      HIS  76  -8.005  -3.458  -2.622

  No H/Q in entry =           7
  In of MODEL   46
    1    H    ALA  77           H        ALA  77  -4.688  -8.955  -0.590
    2    HA   ALA  77           HA       ALA  77  -5.520  -7.049   1.436
    3    HB2  ALA  77           HB1      ALA  77  -4.806  -9.041   2.960
    4    HB1  ALA  77           HB2      ALA  77  -4.714  -9.944   1.448
    5    HB3  ALA  77           HB3      ALA  77  -6.241  -9.216   1.947

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLN  78           H        GLN  78  -2.491  -8.759   0.553
    2    HA   GLN  78           HA       GLN  78  -0.929  -7.688   2.643
    3    HB2  GLN  78           HB2      GLN  78  -0.371  -9.638   1.087
    4    HB3  GLN  78           HB3      GLN  78   0.108  -8.424  -0.097
    5    HG2  GLN  78           HG2      GLN  78   1.701  -7.479   1.548
    6    HG3  GLN  78           HG3      GLN  78   1.255  -8.744   2.690
    7   HE21  GLN  78          HE21      GLN  78   3.791  -9.075   2.323
    8   HE22  GLN  78          HE22      GLN  78   4.200 -10.182   1.104

  No H/Q in entry =           8
  In of MODEL   46
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   46
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.188
    4    HB3  HIS  80           HB3      HIS  80  -5.392  -2.793   2.196
    5    HD1  HIS  80           HD1      HIS  80  -6.711  -0.957   1.144
    6    HD2  HIS  80           HD2      HIS  80  -5.034  -3.487  -1.715
    7    HE1  HIS  80           HE1      HIS  80  -7.584  -0.174  -1.109
    8    HE2  HIS  80           HE2      HIS  80  -6.568  -1.711  -2.860

  No H/Q in entry =           8
  In of MODEL   46
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   46
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   46
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   46
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   46
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   46
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   46
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   46
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   46
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   46
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   46
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   46
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   46
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   46
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   46
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.423 -20.432  -4.409
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.475
    5    HG2  GLU   5           HG2      GLU   5  10.898 -19.843  -1.471
    6    HG3  GLU   5           HG3      GLU   5   9.483 -19.333  -2.391

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   46
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   46
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   46
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.036 -16.707   0.856
    4    HB3  MET   9           HB3      MET   9  13.730 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.340 -16.590   2.245
    6    HG3  MET   9           HG3      MET   9  11.581 -17.040   0.556
    7    HE2  MET   9           HE1      MET   9  12.526 -19.147   4.400
    8    HE1  MET   9           HE2      MET   9  12.490 -17.422   4.044
    9    HE3  MET   9           HE3      MET   9  13.975 -18.336   3.795

  No H/Q in entry =           9
  In of MODEL   46
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   46
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.314
    4   HG12  ILE  12          HG12      ILE  12  10.855 -11.564  -0.014
    5   HG13  ILE  12          HG13      ILE  12   9.641 -12.260   1.041
    6   HG21  ILE  12          HG21      ILE  12   9.720  -9.771   3.048
    7   HG23  ILE  12          HG22      ILE  12  10.851 -10.574   4.137
    8   HG22  ILE  12          HG23      ILE  12   9.516 -11.480   3.425
    9   HD12  ILE  12          HD11      ILE  12   9.852  -9.411   0.066
   10   HD11  ILE  12          HD12      ILE  12   8.804  -9.882   1.393
   11   HD13  ILE  12          HD13      ILE  12   8.557 -10.567  -0.208

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.102 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.808 -12.616   4.668
    5   HG13  ILE  13          HG13      ILE  13  15.286 -13.528   4.953
    6   HG21  ILE  13          HG21      ILE  13  16.118 -10.555   6.664
    7   HG23  ILE  13          HG22      ILE  13  17.368 -10.409   5.429
    8   HG22  ILE  13          HG23      ILE  13  17.075 -11.964   6.207
    9   HD13  ILE  13          HD11      ILE  13  15.283 -13.082   7.233
   10   HD12  ILE  13          HD12      ILE  13  13.549 -13.097   6.918
   11   HD11  ILE  13          HD13      ILE  13  14.409 -11.563   7.036

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   46
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   46
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   46
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   46
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   46
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   46
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   46
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   46
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   46
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   46
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   46
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   46
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   46
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   46
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   46
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   46
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   46
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   46
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   46
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   46
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.285  -1.676  -5.701
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.770  -6.622
    5    HD1  HIS  52           HD1      HIS  52  17.571  -1.841  -9.250
    6    HD2  HIS  52           HD2      HIS  52  13.990  -1.126  -7.239
    7    HE1  HIS  52           HE1      HIS  52  15.928  -1.011 -10.988
    8    HE2  HIS  52           HE2      HIS  52  13.739  -0.569  -9.778

  No H/Q in entry =           8
  In of MODEL   46
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   46
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   46
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   46
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.062
    4    HG1  THR  56           HG1      THR  56  16.318  -4.278 -10.457
    5   HG23  THR  56          HG21      THR  56  17.771  -4.154 -13.978
    6   HG22  THR  56          HG22      THR  56  16.188  -3.481 -13.593
    7   HG21  THR  56          HG23      THR  56  16.314  -5.105 -14.263

  No H/Q in entry =           7
  In of MODEL   46
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   46
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.835  -7.163 -12.525
    4   HG12  ILE  59          HG12      ILE  59   9.893  -7.041 -14.842
    5   HG13  ILE  59          HG13      ILE  59   9.521  -7.844 -13.324
    6   HG21  ILE  59          HG21      ILE  59  13.408  -6.451 -14.301
    7   HG23  ILE  59          HG22      ILE  59  12.104  -5.313 -14.089
    8   HG22  ILE  59          HG23      ILE  59  12.090  -6.412 -15.459
    9   HD13  ILE  59          HD11      ILE  59   8.659  -5.658 -13.045
   10   HD12  ILE  59          HD12      ILE  59  10.075  -4.921 -13.794
   11   HD11  ILE  59          HD13      ILE  59  10.199  -5.634 -12.187

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   46
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   46
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   46
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   46
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   46
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   46
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   46
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   46
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LEU  74           H        LEU  74   7.006 -13.171  -8.613
    2    HA   LEU  74           HA       LEU  74   8.957 -11.252  -8.141
    3    HB2  LEU  74           HB2      LEU  74   8.312 -11.956 -10.365
    4    HB3  LEU  74           HB3      LEU  74   6.682 -11.332 -10.134
    5    HG   LEU  74           HG       LEU  74   7.615  -9.041  -9.938
    6   HD11  LEU  74          HD11      LEU  74  10.186 -10.561 -10.352
    7   HD13  LEU  74          HD12      LEU  74   9.816  -9.339  -9.137
    8   HD12  LEU  74          HD13      LEU  74  10.058  -8.866 -10.818
    9   HD21  LEU  74          HD21      LEU  74   7.009 -10.356 -12.180
   10   HD23  LEU  74          HD22      LEU  74   8.728 -10.183 -12.483
   11   HD22  LEU  74          HD23      LEU  74   7.733  -8.751 -12.247

  No H/Q in entry =          11
  In of MODEL   46
    1    H    VAL  75           H        VAL  75   5.487 -11.040  -7.847
    2    HA   VAL  75           HA       VAL  75   5.357  -8.238  -7.336
    3    HB   VAL  75           HB       VAL  75   3.433 -10.453  -6.562
    4   HG13  VAL  75          HG11      VAL  75   2.709  -8.686  -5.252
    5   HG12  VAL  75          HG12      VAL  75   1.857  -8.322  -6.752
    6   HG11  VAL  75          HG13      VAL  75   3.348  -7.468  -6.355
    7   HG22  VAL  75          HG21      VAL  75   3.603 -10.452  -8.942
    8   HG21  VAL  75          HG22      VAL  75   3.710  -8.694  -9.013
    9   HG23  VAL  75          HG23      VAL  75   2.183  -9.466  -8.592

  No H/Q in entry =           9
  In of MODEL   46
    1    H    HIS  76           H        HIS  76   5.553 -11.170  -5.142
    2    HA   HIS  76           HA       HIS  76   5.269  -9.887  -2.675
    3    HB2  HIS  76           HB2      HIS  76   5.453 -12.399  -3.137
    4    HB3  HIS  76           HB3      HIS  76   7.201 -12.157  -3.132
    5    HD1  HIS  76           HD1      HIS  76   7.924 -13.045  -0.897
    6    HD2  HIS  76           HD2      HIS  76   4.593 -10.559  -0.573
    7    HE1  HIS  76           HE1      HIS  76   7.486 -12.754   1.579

  No H/Q in entry =           7
  In of MODEL   46
    1    H    ALA  77           H        ALA  77   8.189 -10.434  -4.626
    2    HA   ALA  77           HA       ALA  77   9.955  -9.147  -2.785
    3    HB3  ALA  77           HB1      ALA  77  11.390  -8.973  -4.973
    4    HB2  ALA  77           HB2      ALA  77  10.135 -10.008  -5.653
    5    HB1  ALA  77           HB3      ALA  77  11.073 -10.558  -4.266

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLN  78           H        GLN  78   8.174  -8.070  -5.662
    2    HA   GLN  78           HA       GLN  78   9.297  -5.472  -5.783
    3    HB2  GLN  78           HB2      GLN  78   7.927  -6.704  -7.566
    4    HB3  GLN  78           HB3      GLN  78   6.501  -6.207  -6.656
    5    HG2  GLN  78           HG2      GLN  78   7.215  -3.847  -6.856
    6    HG3  GLN  78           HG3      GLN  78   8.603  -4.358  -7.815
    7   HE21  GLN  78          HE21      GLN  78   7.293  -2.767  -9.371
    8   HE22  GLN  78          HE22      GLN  78   6.178  -3.530 -10.399

  No H/Q in entry =           8
  In of MODEL   46
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   46
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.181  -7.446  -0.520
    4    HB3  HIS  80           HB3      HIS  80  10.033  -6.563   0.749
    5    HD1  HIS  80           HD1      HIS  80   9.371  -7.076   3.095
    6    HD2  HIS  80           HD2      HIS  80   6.447  -8.269   0.372
    7    HE1  HIS  80           HE1      HIS  80   7.581  -8.277   4.440
    8    HE2  HIS  80           HE2      HIS  80   5.793  -9.009   2.789

  No H/Q in entry =           8
  In of MODEL   46
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   46
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   46
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   46
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   46
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   46
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   46
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   46
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   46
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   46
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   46
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   46
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   46
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   46
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   46
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.104  -6.381 -21.733
    4    HB3  GLU   5           HB3      GLU   5   0.422  -5.148 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.483  -4.497 -21.789
    6    HG3  GLU   5           HG3      GLU   5   2.163  -5.685 -20.528

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   46
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   46
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   46
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.884   0.430 -20.999
    4    HB3  MET   9           HB3      MET   9   4.422   1.172 -20.554
    5    HG2  MET   9           HG2      MET   9   5.223  -0.949 -19.646
    6    HG3  MET   9           HG3      MET   9   3.663  -1.706 -19.971
    7    HE2  MET   9           HE1      MET   9   7.045  -0.489 -22.645
    8    HE1  MET   9           HE2      MET   9   6.501   0.220 -21.126
    9    HE3  MET   9           HE3      MET   9   5.807   0.773 -22.648

  No H/Q in entry =           9
  In of MODEL   46
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   46
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.478   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.664   0.281 -14.891
    5   HG13  ILE  12          HG13      ILE  12   4.209  -0.541 -14.959
    6   HG21  ILE  12          HG21      ILE  12   5.631   1.630 -13.089
    7   HG23  ILE  12          HG22      ILE  12   6.268   2.522 -14.472
    8   HG22  ILE  12          HG23      ILE  12   6.295   0.760 -14.471
    9   HD12  ILE  12          HD11      ILE  12   2.842   0.655 -12.549
   10   HD11  ILE  12          HD12      ILE  12   4.531   0.178 -12.542
   11   HD13  ILE  12          HD13      ILE  12   3.279  -1.021 -12.836

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.811 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.834   3.931 -17.786
    5   HG13  ILE  13          HG13      ILE  13   5.620   4.701 -19.355
    6   HG21  ILE  13          HG21      ILE  13   6.408   7.553 -17.436
    7   HG23  ILE  13          HG22      ILE  13   4.761   8.050 -17.826
    8   HG22  ILE  13          HG23      ILE  13   5.796   7.367 -19.080
    9   HD13  ILE  13          HD11      ILE  13   7.619   5.872 -19.204
   10   HD12  ILE  13          HD12      ILE  13   8.037   4.430 -18.280
   11   HD11  ILE  13          HD13      ILE  13   7.579   5.912 -17.443

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   46
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   46
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   46
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   46
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   46
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   46
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   46
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   46
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   46
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   46
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   46
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   46
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   46
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   46
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   46
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   46
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   46
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   46
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   46
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   46
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.076   7.007  -8.733
    4    HB3  HIS  52           HB3      HIS  52  -7.500   7.709  -9.501
    5    HD1  HIS  52           HD1      HIS  52  -9.776   6.413  -9.197
    6    HD2  HIS  52           HD2      HIS  52  -6.621   4.927  -6.915
    7    HE1  HIS  52           HE1      HIS  52 -10.804   4.871  -7.477
    8    HE2  HIS  52           HE2      HIS  52  -8.894   3.960  -6.069

  No H/Q in entry =           8
  In of MODEL   46
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   46
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   46
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   46
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.897   3.590 -12.098
    4    HG1  THR  56           HG1      THR  56 -10.020   3.727 -10.472
    5   HG23  THR  56          HG21      THR  56 -13.821   3.361 -10.852
    6   HG22  THR  56          HG22      THR  56 -12.944   2.777  -9.437
    7   HG21  THR  56          HG23      THR  56 -13.303   1.678 -10.766

  No H/Q in entry =           7
  In of MODEL   46
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   46
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.663  -1.972 -10.404
    4   HG12  ILE  59          HG12      ILE  59 -10.936  -4.330  -9.011
    5   HG13  ILE  59          HG13      ILE  59  -9.338  -4.423  -9.734
    6   HG23  ILE  59          HG21      ILE  59 -11.904  -1.095 -10.306
    7   HG22  ILE  59          HG22      ILE  59 -11.504  -1.692  -8.717
    8   HG21  ILE  59          HG23      ILE  59 -12.558  -2.630  -9.764
    9   HD13  ILE  59          HD11      ILE  59  -8.839  -3.799  -7.537
   10   HD12  ILE  59          HD12      ILE  59 -10.253  -2.755  -7.416
   11   HD11  ILE  59          HD13      ILE  59  -8.862  -2.245  -8.370

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   46
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   46
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   46
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   46
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   46
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   46
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   46
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   46
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   46
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LEU  74           H        LEU  74  -3.311  -7.006 -13.429
    2    HA   LEU  74           HA       LEU  74  -3.948  -4.377 -12.836
    3    HB2  LEU  74           HB2      LEU  74  -5.589  -6.163 -12.872
    4    HB3  LEU  74           HB3      LEU  74  -4.800  -6.971 -11.524
    5    HG   LEU  74           HG       LEU  74  -5.332  -5.027 -10.078
    6   HD11  LEU  74          HD11      LEU  74  -6.543  -4.041 -12.657
    7   HD13  LEU  74          HD12      LEU  74  -5.471  -3.187 -11.549
    8   HD12  LEU  74          HD13      LEU  74  -7.152  -3.475 -11.103
    9   HD21  LEU  74          HD21      LEU  74  -6.919  -7.095 -10.657
   10   HD23  LEU  74          HD22      LEU  74  -7.922  -5.841 -11.367
   11   HD22  LEU  74          HD23      LEU  74  -7.504  -5.764  -9.659

  No H/Q in entry =          11
  In of MODEL   46
    1    H    VAL  75           H        VAL  75  -2.297  -6.756 -10.892
    2    HA   VAL  75           HA       VAL  75  -2.172  -5.215  -8.497
    3    HB   VAL  75           HB       VAL  75  -0.376  -7.468  -9.435
    4   HG13  VAL  75          HG11      VAL  75   0.828  -6.548  -7.678
    5   HG12  VAL  75          HG12      VAL  75  -0.239  -7.631  -6.786
    6   HG11  VAL  75          HG13      VAL  75  -0.612  -5.911  -6.887
    7   HG22  VAL  75          HG21      VAL  75  -2.605  -8.327  -9.302
    8   HG21  VAL  75          HG22      VAL  75  -2.965  -7.381  -7.857
    9   HG23  VAL  75          HG23      VAL  75  -1.859  -8.750  -7.762

  No H/Q in entry =           9
  In of MODEL   46
    1    H    HIS  76           H        HIS  76   0.137  -5.648 -11.304
    2    HA   HIS  76           HA       HIS  76   2.297  -4.180 -10.315
    3    HB2  HIS  76           HB2      HIS  76   2.153  -5.506 -12.502
    4    HB3  HIS  76           HB3      HIS  76   1.421  -4.059 -13.197
    5    HD1  HIS  76           HD1      HIS  76   3.265  -3.016 -14.539
    6    HD2  HIS  76           HD2      HIS  76   4.572  -4.185 -10.758
    7    HE1  HIS  76           HE1      HIS  76   5.645  -2.182 -14.315

  No H/Q in entry =           7
  In of MODEL   46
    1    H    ALA  77           H        ALA  77  -0.575  -3.071 -12.084
    2    HA   ALA  77           HA       ALA  77   0.186  -0.317 -12.084
    3    HB2  ALA  77           HB1      ALA  77  -2.399  -0.070 -12.461
    4    HB3  ALA  77           HB2      ALA  77  -2.354  -1.825 -12.621
    5    HB1  ALA  77           HB3      ALA  77  -1.408  -0.818 -13.715

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLN  78           H        GLN  78  -1.831  -2.323  -9.962
    2    HA   GLN  78           HA       GLN  78  -2.768  -0.210  -8.323
    3    HB2  GLN  78           HB2      GLN  78  -3.647  -2.612  -8.488
    4    HB3  GLN  78           HB3      GLN  78  -2.320  -3.055  -7.414
    5    HG2  GLN  78           HG2      GLN  78  -3.125  -1.393  -5.765
    6    HG3  GLN  78           HG3      GLN  78  -4.482  -1.017  -6.824
    7   HE21  GLN  78          HE21      GLN  78  -5.577  -1.841  -4.635
    8   HE22  GLN  78          HE22      GLN  78  -5.943  -3.499  -4.597

  No H/Q in entry =           8
  In of MODEL   46
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   46
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.307   0.902 -10.476
    4    HB3  HIS  80           HB3      HIS  80   2.981   2.521 -10.289
    5    HD1  HIS  80           HD1      HIS  80   5.436   2.746 -10.623
    6    HD2  HIS  80           HD2      HIS  80   4.345  -1.201  -9.846
    7    HE1  HIS  80           HE1      HIS  80   7.550   1.357 -10.853
    8    HE2  HIS  80           HE2      HIS  80   6.896  -1.053 -10.383

  No H/Q in entry =           8
  In of MODEL   46
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   46
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   46
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   46
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   46
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   46
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   46
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   46
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   46
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   46
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   46
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   46
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   46
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   46
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   46
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   46
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   46
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   46
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   46
    1    H    PHE   9           H        PHE   9 -21.282   0.635  -3.909
    2    HA   PHE   9           HA       PHE   9 -18.522   1.525  -4.539
    3    HB2  PHE   9           HB2      PHE   9 -20.339   2.440  -2.302
    4    HB3  PHE   9           HB3      PHE   9 -18.631   2.856  -2.436
    5    HD1  PHE   9           HD1      PHE   9 -21.990   3.465  -3.707
    6    HD2  PHE   9           HD2      PHE   9 -17.813   4.215  -4.362
    7    HE1  PHE   9           HE1      PHE   9 -22.565   5.314  -5.255
    8    HE2  PHE   9           HE2      PHE   9 -18.388   6.063  -5.913
    9    HZ   PHE   9           HZ       PHE   9 -20.765   6.613  -6.360

  No H/Q in entry =           9
  In of MODEL   46
    1    H    CYS  10           H        CYS  10 -16.922   0.912  -3.229
    2    HA   CYS  10           HA       CYS  10 -17.180  -0.765  -0.899
    3    HB2  CYS  10           HB2      CYS  10 -16.110  -2.715  -1.688
    4    HB3  CYS  10           HB3      CYS  10 -17.243  -2.316  -2.983

  No H/Q in entry =           4
  In of MODEL   46
    1    H    SER  11           H        SER  11 -14.441  -1.452  -0.403
    2    HA   SER  11           HA       SER  11 -13.472   1.168  -0.007
    3    HB2  SER  11           HB2      SER  11 -11.201  -0.173   0.287
    4    HB3  SER  11           HB3      SER  11 -12.473  -0.282   1.485
    5    HG   SER  11           HG       SER  11 -13.125  -2.050  -0.266

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA  12           H        ALA  12 -12.183  -1.345  -2.330
    2    HA   ALA  12           HA       ALA  12 -10.793   0.888  -3.652
    3    HB1  ALA  12           HB1      ALA  12 -10.077  -1.842  -3.013
    4    HB3  ALA  12           HB2      ALA  12  -9.049  -0.524  -3.573
    5    HB2  ALA  12           HB3      ALA  12  -9.896  -1.538  -4.741

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLY  13           H        GLY  13 -12.938  -1.863  -4.248
    2    HA3  GLY  13           HA2      GLY  13 -14.733  -1.511  -5.878
    3    HA2  GLY  13           HA3      GLY  13 -13.542  -0.717  -6.901

  No H/Q in entry =           3
  In of MODEL   46
    1    H    MET  14           H        MET  14 -12.685  -3.693  -5.178
    2    HA   MET  14           HA       MET  14 -12.543  -4.987  -7.825
    3    HB2  MET  14           HB2      MET  14 -10.449  -4.744  -6.434
    4    HB3  MET  14           HB3      MET  14 -11.162  -5.892  -5.300
    5    HG2  MET  14           HG2      MET  14 -11.533  -7.366  -7.436
    6    HG3  MET  14           HG3      MET  14 -10.285  -6.341  -8.142
    7    HE1  MET  14           HE1      MET  14  -8.080  -5.967  -7.355
    8    HE3  MET  14           HE2      MET  14  -7.924  -7.489  -8.226
    9    HE2  MET  14           HE3      MET  14  -7.082  -7.268  -6.696

  No H/Q in entry =           9
  In of MODEL   46
    1    H    SER  15           H        SER  15 -12.850  -6.312  -4.559
    2    HA   SER  15           HA       SER  15 -14.096  -8.655  -5.186
    3    HB2  SER  15           HB2      SER  15 -15.117  -7.126  -2.824
    4    HB3  SER  15           HB3      SER  15 -14.758  -8.847  -2.974
    5    HG   SER  15           HG       SER  15 -13.116  -6.731  -2.373

  No H/Q in entry =           5
  In of MODEL   46
    1    H    THR  16           H        THR  16 -15.521  -5.472  -5.459
    2    HA   THR  16           HA       THR  16 -18.206  -6.682  -5.638
    3    HB   THR  16           HB       THR  16 -17.451  -3.766  -5.947
    4    HG1  THR  16           HG1      THR  16 -18.649  -4.307  -3.645
    5   HG22  THR  16          HG21      THR  16 -19.914  -3.623  -5.113
    6   HG21  THR  16          HG22      THR  16 -20.016  -5.309  -5.625
    7   HG23  THR  16          HG23      THR  16 -19.619  -4.053  -6.799

  No H/Q in entry =           7
  In of MODEL   46
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   46
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   46
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   46
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   46
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   46
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   46
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   46
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   46
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   46
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   46
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   46
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   46
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   46
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   46
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   46
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   46
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   46
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   46
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   46
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   46
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   46
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   46
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   46
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   46
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   46
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   46
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   46
    1    HA   PRO  58           HA       PRO  58 -23.311  -4.451   3.148
    2    HB2  PRO  58           HB2      PRO  58 -21.603  -6.873   3.254
    3    HB3  PRO  58           HB3      PRO  58 -23.364  -6.721   3.386
    4    HG2  PRO  58           HG2      PRO  58 -22.178  -7.716   1.201
    5    HG3  PRO  58           HG3      PRO  58 -23.676  -6.774   1.122
    6    HD2  PRO  58           HD2      PRO  58 -20.883  -5.928   0.415
    7    HD3  PRO  58           HD3      PRO  58 -22.438  -5.473  -0.321

  No H/Q in entry =           7
  In of MODEL   46
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   46
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   46
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   46
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   46
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   46
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   46
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   46
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   46
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   46
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   46
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   46
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   46
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   46
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   46
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   46
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   46
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   46
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   46
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   46
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   46
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   46
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   46
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   46
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   46
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   46
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   46
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   46
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   46
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   46
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   46
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   46
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   46
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   46
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   46
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   46
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   46
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   46
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   47
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   47
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.285 -14.278  -2.733
    4    HB3  GLU   5           HB3      GLU   5 -14.692 -13.934  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.581 -11.560  -2.343
    6    HG3  GLU   5           HG3      GLU   5 -13.146 -11.868  -3.319

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   47
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   47
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   47
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.711  -8.425   1.551
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.704   1.334
    5    HG2  MET   9           HG2      MET   9 -14.268  -6.812  -0.977
    6    HG3  MET   9           HG3      MET   9 -13.807  -8.502  -0.778
    7    HE1  MET   9           HE1      MET   9 -16.290  -5.874  -0.542
    8    HE3  MET   9           HE2      MET   9 -17.387  -6.734   0.532
    9    HE2  MET   9           HE3      MET   9 -17.818  -6.512  -1.156

  No H/Q in entry =           9
  In of MODEL   47
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   47
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.937  -4.412   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.172  -6.146   0.954
    5   HG13  ILE  12          HG13      ILE  12  -9.687  -5.417  -0.554
    6   HG22  ILE  12          HG21      ILE  12  -8.783  -2.546   0.271
    7   HG21  ILE  12          HG22      ILE  12 -10.356  -2.061   0.908
    8   HG23  ILE  12          HG23      ILE  12 -10.250  -2.995  -0.589
    9   HD11  ILE  12          HD11      ILE  12  -7.658  -3.890  -0.335
   10   HD13  ILE  12          HD12      ILE  12  -7.309  -5.584  -0.629
   11   HD12  ILE  12          HD13      ILE  12  -7.154  -4.922   0.992

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.236
    4   HG12  ILE  13          HG12      ILE  13 -13.491  -3.060   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.915  -3.533   3.574
    6   HG22  ILE  13          HG21      ILE  13 -15.153  -1.901   5.726
    7   HG21  ILE  13          HG22      ILE  13 -13.937  -0.662   5.414
    8   HG23  ILE  13          HG23      ILE  13 -13.704  -1.814   6.729
    9   HD12  ILE  13          HD11      ILE  13 -15.004  -1.401   2.026
   10   HD11  ILE  13          HD12      ILE  13 -14.203  -0.625   3.386
   11   HD13  ILE  13          HD13      ILE  13 -15.785  -1.369   3.604

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   47
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   47
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   47
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   47
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   47
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   47
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   47
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   47
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   47
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   47
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   47
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   47
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   47
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   47
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   47
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   47
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   47
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   47
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   47
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   47
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.946  -6.668  10.566
    4    HB3  HIS  52           HB3      HIS  52  -1.110  -7.751  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.208 -10.094  11.743
    6    HD2  HIS  52           HD2      HIS  52   1.302  -7.159   8.993
    7    HE1  HIS  52           HE1      HIS  52   2.430 -10.820  10.768
    8    HE2  HIS  52           HE2      HIS  52   3.112  -9.040   9.090

  No H/Q in entry =           8
  In of MODEL   47
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   47
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   47
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   47
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.094 -14.223  10.983
    4    HG1  THR  56           HG1      THR  56  -0.202 -12.074   9.802
    5   HG21  THR  56          HG21      THR  56   0.976 -15.666   9.958
    6   HG23  THR  56          HG22      THR  56   0.874 -15.204  11.656
    7   HG22  THR  56          HG23      THR  56   1.845 -14.247  10.539

  No H/Q in entry =           7
  In of MODEL   47
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   47
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.911
    4   HG12  ILE  59          HG12      ILE  59   2.383 -16.254   3.440
    5   HG13  ILE  59          HG13      ILE  59   1.138 -15.331   2.614
    6   HG21  ILE  59          HG21      ILE  59   1.117 -16.018   6.799
    7   HG23  ILE  59          HG22      ILE  59   2.389 -15.064   6.084
    8   HG22  ILE  59          HG23      ILE  59   2.283 -16.781   5.735
    9   HD12  ILE  59          HD11      ILE  59   3.330 -14.293   4.406
   10   HD11  ILE  59          HD12      ILE  59   1.914 -13.322   4.004
   11   HD13  ILE  59          HD13      ILE  59   3.002 -13.864   2.727

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   47
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   47
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   47
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   47
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   47
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   47
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   47
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   47
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LEU  74           H        LEU  74  -4.189 -13.629  -2.406
    2    HA   LEU  74           HA       LEU  74  -3.795 -12.469   0.107
    3    HB2  LEU  74           HB2      LEU  74  -2.871 -14.620  -0.527
    4    HB3  LEU  74           HB3      LEU  74  -1.888 -13.869  -1.779
    5    HG   LEU  74           HG       LEU  74  -0.632 -12.640  -0.057
    6   HD12  LEU  74          HD11      LEU  74  -1.041 -13.500   2.356
    7   HD11  LEU  74          HD12      LEU  74  -2.612 -14.023   1.753
    8   HD13  LEU  74          HD13      LEU  74  -2.174 -12.315   1.710
    9   HD23  LEU  74          HD21      LEU  74  -0.674 -15.519   0.848
   10   HD22  LEU  74          HD22      LEU  74   0.703 -14.474   0.549
   11   HD21  LEU  74          HD23      LEU  74  -0.205 -15.133  -0.806

  No H/Q in entry =          11
  In of MODEL   47
    1    H    VAL  75           H        VAL  75  -2.714 -11.544  -3.043
    2    HA   VAL  75           HA       VAL  75  -0.723  -9.659  -2.224
    3    HB   VAL  75           HB       VAL  75  -2.244 -10.062  -4.811
    4   HG13  VAL  75          HG11      VAL  75  -1.706  -7.708  -4.701
    5   HG12  VAL  75          HG12      VAL  75  -0.544  -8.474  -5.783
    6   HG11  VAL  75          HG13      VAL  75  -0.073  -8.058  -4.137
    7   HG22  VAL  75          HG21      VAL  75  -0.055 -10.885  -5.612
    8   HG21  VAL  75          HG22      VAL  75  -0.569 -11.793  -4.191
    9   HG23  VAL  75          HG23      VAL  75   0.657 -10.537  -4.036

  No H/Q in entry =           9
  In of MODEL   47
    1    H    HIS  76           H        HIS  76  -4.406  -9.245  -3.370
    2    HA   HIS  76           HA       HIS  76  -4.721  -6.476  -3.171
    3    HB2  HIS  76           HB2      HIS  76  -6.468  -8.059  -4.053
    4    HB3  HIS  76           HB3      HIS  76  -6.828  -8.520  -2.395
    5    HD1  HIS  76           HD1      HIS  76  -6.035  -4.912  -2.862
    6    HD2  HIS  76           HD2      HIS  76  -9.485  -7.282  -2.868
    7    HE1  HIS  76           HE1      HIS  76  -8.013  -3.318  -2.701

  No H/Q in entry =           7
  In of MODEL   47
    1    H    ALA  77           H        ALA  77  -4.716  -8.944  -0.668
    2    HA   ALA  77           HA       ALA  77  -5.521  -7.107   1.424
    3    HB2  ALA  77           HB1      ALA  77  -6.189  -9.293   1.892
    4    HB1  ALA  77           HB2      ALA  77  -4.736  -9.127   2.877
    5    HB3  ALA  77           HB3      ALA  77  -4.664  -9.989   1.341

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLN  78           H        GLN  78  -2.467  -8.798   0.534
    2    HA   GLN  78           HA       GLN  78  -0.931  -7.711   2.621
    3    HB2  GLN  78           HB2      GLN  78  -0.350  -9.645   1.046
    4    HB3  GLN  78           HB3      GLN  78   0.148  -8.412  -0.111
    5    HG2  GLN  78           HG2      GLN  78   1.716  -7.493   1.565
    6    HG3  GLN  78           HG3      GLN  78   1.242  -8.759   2.694
    7   HE21  GLN  78          HE21      GLN  78   3.774  -9.120   2.390
    8   HE22  GLN  78          HE22      GLN  78   4.205 -10.217   1.169

  No H/Q in entry =           8
  In of MODEL   47
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   47
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.204   1.202
    4    HB3  HIS  80           HB3      HIS  80  -5.395  -2.780   2.190
    5    HD1  HIS  80           HD1      HIS  80  -6.744  -0.987   1.111
    6    HD2  HIS  80           HD2      HIS  80  -4.991  -3.502  -1.714
    7    HE1  HIS  80           HE1      HIS  80  -7.601  -0.228  -1.156
    8    HE2  HIS  80           HE2      HIS  80  -6.538  -1.756  -2.887

  No H/Q in entry =           8
  In of MODEL   47
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   47
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   47
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   47
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   47
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   47
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   47
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   47
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   47
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   47
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   47
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   47
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   47
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   47
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   47
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.418 -20.429  -4.406
    4    HB3  GLU   5           HB3      GLU   5  11.852 -20.885  -3.481
    5    HG2  GLU   5           HG2      GLU   5  10.910 -19.848  -1.469
    6    HG3  GLU   5           HG3      GLU   5   9.491 -19.334  -2.381

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   47
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   47
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   47
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.038 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.727 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.339 -16.593   2.239
    6    HG3  MET   9           HG3      MET   9  11.585 -17.041   0.550
    7    HE1  MET   9           HE1      MET   9  12.427 -17.461   4.067
    8    HE3  MET   9           HE2      MET   9  13.972 -18.257   3.776
    9    HE2  MET   9           HE3      MET   9  12.605 -19.191   4.381

  No H/Q in entry =           9
  In of MODEL   47
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   47
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.954   2.302
    4   HG12  ILE  12          HG12      ILE  12  10.835 -11.526  -0.020
    5   HG13  ILE  12          HG13      ILE  12   9.646 -12.261   1.036
    6   HG21  ILE  12          HG21      ILE  12   9.746  -9.765   3.077
    7   HG23  ILE  12          HG22      ILE  12  10.867 -10.608   4.146
    8   HG22  ILE  12          HG23      ILE  12   9.515 -11.477   3.424
    9   HD11  ILE  12          HD11      ILE  12   8.763  -9.903   1.427
   10   HD13  ILE  12          HD12      ILE  12   8.528 -10.552  -0.186
   11   HD12  ILE  12          HD13      ILE  12   9.822  -9.401   0.118

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.806 -12.613   4.671
    5   HG13  ILE  13          HG13      ILE  13  15.284 -13.528   4.947
    6   HG22  ILE  13          HG21      ILE  13  17.070 -11.964   6.212
    7   HG21  ILE  13          HG22      ILE  13  16.119 -10.550   6.662
    8   HG23  ILE  13          HG23      ILE  13  17.371 -10.414   5.428
    9   HD12  ILE  13          HD11      ILE  13  13.576 -13.137   6.929
   10   HD11  ILE  13          HD12      ILE  13  14.379 -11.572   7.034
   11   HD13  ILE  13          HD13      ILE  13  15.312 -13.055   7.226

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   47
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   47
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   47
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   47
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   47
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   47
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   47
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   47
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   47
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   47
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   47
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   47
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   47
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   47
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   47
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   47
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   47
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   47
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   47
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   47
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.316  -1.676  -5.684
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.657
    5    HD1  HIS  52           HD1      HIS  52  17.397  -2.063  -9.309
    6    HD2  HIS  52           HD2      HIS  52  14.052  -0.898  -7.110
    7    HE1  HIS  52           HE1      HIS  52  15.718  -1.170 -10.980
    8    HE2  HIS  52           HE2      HIS  52  13.673  -0.454  -9.656

  No H/Q in entry =           8
  In of MODEL   47
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   47
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   47
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   47
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.457 -12.069
    4    HG1  THR  56           HG1      THR  56  16.088  -4.186 -10.590
    5   HG21  THR  56          HG21      THR  56  16.262  -5.066 -14.263
    6   HG23  THR  56          HG22      THR  56  17.769  -4.193 -13.988
    7   HG22  THR  56          HG23      THR  56  16.230  -3.446 -13.568

  No H/Q in entry =           7
  In of MODEL   47
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   47
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.837  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.891  -7.038 -14.838
    5   HG13  ILE  59          HG13      ILE  59   9.522  -7.847 -13.323
    6   HG21  ILE  59          HG21      ILE  59  13.406  -6.457 -14.314
    7   HG23  ILE  59          HG22      ILE  59  12.110  -5.313 -14.085
    8   HG22  ILE  59          HG23      ILE  59  12.077  -6.406 -15.459
    9   HD12  ILE  59          HD11      ILE  59  10.088  -4.922 -13.771
   10   HD11  ILE  59          HD12      ILE  59  10.182  -5.652 -12.168
   11   HD13  ILE  59          HD13      ILE  59   8.656  -5.657 -13.051

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   47
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   47
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   47
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   47
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   47
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   47
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   47
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   47
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LEU  74           H        LEU  74   6.934 -13.105  -8.614
    2    HA   LEU  74           HA       LEU  74   8.861 -11.147  -8.094
    3    HB2  LEU  74           HB2      LEU  74   8.215 -11.827 -10.336
    4    HB3  LEU  74           HB3      LEU  74   6.579 -11.231 -10.081
    5    HG   LEU  74           HG       LEU  74   7.445  -8.937  -9.866
    6   HD12  LEU  74          HD11      LEU  74   9.907  -8.666 -10.633
    7   HD11  LEU  74          HD12      LEU  74  10.083 -10.367 -10.206
    8   HD13  LEU  74          HD13      LEU  74   9.625  -9.191  -8.974
    9   HD23  LEU  74          HD21      LEU  74   8.680 -10.056 -12.383
   10   HD22  LEU  74          HD22      LEU  74   7.700  -8.616 -12.177
   11   HD21  LEU  74          HD23      LEU  74   6.944 -10.203 -12.125

  No H/Q in entry =          11
  In of MODEL   47
    1    H    VAL  75           H        VAL  75   5.401 -11.119  -7.724
    2    HA   VAL  75           HA       VAL  75   5.067  -8.350  -7.178
    3    HB   VAL  75           HB       VAL  75   3.420 -10.792  -6.489
    4   HG13  VAL  75          HG11      VAL  75   3.001  -9.156  -4.743
    5   HG12  VAL  75          HG12      VAL  75   1.628  -9.157  -5.850
    6   HG11  VAL  75          HG13      VAL  75   2.830  -7.870  -5.938
    7   HG22  VAL  75          HG21      VAL  75   1.906  -9.861  -8.209
    8   HG21  VAL  75          HG22      VAL  75   3.519 -10.103  -8.877
    9   HG23  VAL  75          HG23      VAL  75   2.988  -8.485  -8.422

  No H/Q in entry =           9
  In of MODEL   47
    1    H    HIS  76           H        HIS  76   5.543 -11.245  -4.965
    2    HA   HIS  76           HA       HIS  76   5.351  -9.905  -2.512
    3    HB2  HIS  76           HB2      HIS  76   5.619 -12.452  -3.032
    4    HB3  HIS  76           HB3      HIS  76   7.346 -12.113  -2.905
    5    HD1  HIS  76           HD1      HIS  76   7.958 -12.951  -0.619
    6    HD2  HIS  76           HD2      HIS  76   4.479 -10.654  -0.549
    7    HE1  HIS  76           HE1      HIS  76   7.329 -12.676   1.819

  No H/Q in entry =           7
  In of MODEL   47
    1    H    ALA  77           H        ALA  77   8.179 -10.461  -4.596
    2    HA   ALA  77           HA       ALA  77  10.019  -9.155  -2.856
    3    HB1  ALA  77           HB1      ALA  77  11.067 -10.563  -4.382
    4    HB3  ALA  77           HB2      ALA  77  11.349  -8.982  -5.110
    5    HB2  ALA  77           HB3      ALA  77  10.068 -10.021  -5.731

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLN  78           H        GLN  78   8.145  -8.066  -5.684
    2    HA   GLN  78           HA       GLN  78   9.286  -5.474  -5.796
    3    HB2  GLN  78           HB2      GLN  78   7.894  -6.701  -7.576
    4    HB3  GLN  78           HB3      GLN  78   6.481  -6.170  -6.665
    5    HG2  GLN  78           HG2      GLN  78   7.226  -3.828  -6.884
    6    HG3  GLN  78           HG3      GLN  78   8.622  -4.362  -7.818
    7   HE21  GLN  78          HE21      GLN  78   7.380  -2.776  -9.417
    8   HE22  GLN  78          HE22      GLN  78   6.262  -3.524 -10.453

  No H/Q in entry =           8
  In of MODEL   47
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   47
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.197  -7.439  -0.523
    4    HB3  HIS  80           HB3      HIS  80  10.025  -6.561   0.765
    5    HD1  HIS  80           HD1      HIS  80   9.351  -7.129   3.091
    6    HD2  HIS  80           HD2      HIS  80   6.435  -8.249   0.329
    7    HE1  HIS  80           HE1      HIS  80   7.544  -8.340   4.403
    8    HE2  HIS  80           HE2      HIS  80   5.760  -9.028   2.728

  No H/Q in entry =           8
  In of MODEL   47
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   47
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   47
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   47
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   47
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   47
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   47
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   47
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   47
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   47
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   47
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   47
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   47
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   47
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   47
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.108  -6.382 -21.729
    4    HB3  GLU   5           HB3      GLU   5   0.417  -5.151 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.480  -4.490 -21.798
    6    HG3  GLU   5           HG3      GLU   5   2.169  -5.677 -20.534

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   47
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   47
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   47
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.436 -21.000
    4    HB3  MET   9           HB3      MET   9   4.427   1.168 -20.551
    5    HG2  MET   9           HG2      MET   9   5.212  -0.961 -19.644
    6    HG3  MET   9           HG3      MET   9   3.649  -1.707 -19.980
    7    HE1  MET   9           HE1      MET   9   6.536   0.181 -21.127
    8    HE3  MET   9           HE2      MET   9   5.767   0.808 -22.583
    9    HE2  MET   9           HE3      MET   9   7.000  -0.443 -22.716

  No H/Q in entry =           9
  In of MODEL   47
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   47
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.467   1.681 -15.889
    4   HG12  ILE  12          HG12      ILE  12   2.663   0.281 -14.848
    5   HG13  ILE  12          HG13      ILE  12   4.205  -0.541 -14.959
    6   HG21  ILE  12          HG21      ILE  12   5.647   1.666 -13.102
    7   HG23  ILE  12          HG22      ILE  12   6.275   2.522 -14.511
    8   HG22  ILE  12          HG23      ILE  12   6.295   0.761 -14.469
    9   HD11  ILE  12          HD11      ILE  12   4.579   0.150 -12.540
   10   HD13  ILE  12          HD12      ILE  12   3.301  -1.023 -12.807
   11   HD12  ILE  12          HD13      ILE  12   2.901   0.667 -12.531

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.813 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.838   3.932 -17.782
    5   HG13  ILE  13          HG13      ILE  13   5.613   4.695 -19.353
    6   HG22  ILE  13          HG21      ILE  13   5.812   7.362 -19.076
    7   HG21  ILE  13          HG22      ILE  13   6.401   7.556 -17.425
    8   HG23  ILE  13          HG23      ILE  13   4.760   8.049 -17.839
    9   HD12  ILE  13          HD11      ILE  13   8.042   4.438 -18.341
   10   HD11  ILE  13          HD12      ILE  13   7.591   5.880 -17.433
   11   HD13  ILE  13          HD13      ILE  13   7.592   5.913 -19.195

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   47
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   47
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   47
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   47
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   47
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   47
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   47
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   47
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   47
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   47
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   47
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   47
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   47
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   47
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   47
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   47
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   47
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   47
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   47
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   47
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.038  -8.752
    4    HB3  HIS  52           HB3      HIS  52  -7.532   7.691  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.726   6.138  -9.288
    6    HD2  HIS  52           HD2      HIS  52  -6.559   5.148  -6.766
    7    HE1  HIS  52           HE1      HIS  52 -10.683   4.629  -7.501
    8    HE2  HIS  52           HE2      HIS  52  -8.767   4.019  -5.947

  No H/Q in entry =           8
  In of MODEL   47
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   47
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   47
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   47
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.906   3.584 -12.100
    4    HG1  THR  56           HG1      THR  56 -10.054   3.542 -10.271
    5   HG21  THR  56          HG21      THR  56 -13.298   1.670 -10.720
    6   HG23  THR  56          HG22      THR  56 -13.816   3.350 -10.858
    7   HG22  THR  56          HG23      THR  56 -12.934   2.815  -9.430

  No H/Q in entry =           7
  In of MODEL   47
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   47
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.667  -1.969 -10.405
    4   HG12  ILE  59          HG12      ILE  59 -10.926  -4.333  -9.011
    5   HG13  ILE  59          HG13      ILE  59  -9.329  -4.419  -9.738
    6   HG23  ILE  59          HG21      ILE  59 -11.940  -1.129 -10.331
    7   HG22  ILE  59          HG22      ILE  59 -11.488  -1.654  -8.731
    8   HG21  ILE  59          HG23      ILE  59 -12.544  -2.655  -9.714
    9   HD12  ILE  59          HD11      ILE  59 -10.244  -2.719  -7.435
   10   HD11  ILE  59          HD12      ILE  59  -8.826  -2.266  -8.378
   11   HD13  ILE  59          HD13      ILE  59  -8.858  -3.806  -7.520

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   47
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   47
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   47
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   47
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   47
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   47
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   47
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   47
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   47
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LEU  74           H        LEU  74  -3.289  -7.038 -13.320
    2    HA   LEU  74           HA       LEU  74  -3.877  -4.380 -12.703
    3    HB2  LEU  74           HB2      LEU  74  -5.542  -6.155 -12.714
    4    HB3  LEU  74           HB3      LEU  74  -4.726  -6.976 -11.389
    5    HG   LEU  74           HG       LEU  74  -5.210  -5.072  -9.907
    6   HD12  LEU  74          HD11      LEU  74  -6.943  -3.402 -10.867
    7   HD11  LEU  74          HD12      LEU  74  -6.394  -3.953 -12.449
    8   HD13  LEU  74          HD13      LEU  74  -5.259  -3.188 -11.339
    9   HD23  LEU  74          HD21      LEU  74  -7.829  -5.764 -11.244
   10   HD22  LEU  74          HD22      LEU  74  -7.447  -5.686  -9.532
   11   HD21  LEU  74          HD23      LEU  74  -6.869  -7.039 -10.496

  No H/Q in entry =          11
  In of MODEL   47
    1    H    VAL  75           H        VAL  75  -2.151  -6.813 -10.924
    2    HA   VAL  75           HA       VAL  75  -1.896  -5.434  -8.452
    3    HB   VAL  75           HB       VAL  75  -0.272  -7.638  -9.730
    4   HG13  VAL  75          HG11      VAL  75   1.237  -6.377  -8.291
    5   HG12  VAL  75          HG12      VAL  75   0.798  -7.878  -7.477
    6   HG11  VAL  75          HG13      VAL  75   0.039  -6.361  -6.997
    7   HG22  VAL  75          HG21      VAL  75  -1.360  -9.010  -7.983
    8   HG21  VAL  75          HG22      VAL  75  -2.577  -8.191  -8.962
    9   HG23  VAL  75          HG23      VAL  75  -2.174  -7.576  -7.361

  No H/Q in entry =           9
  In of MODEL   47
    1    H    HIS  76           H        HIS  76   0.296  -5.624 -11.388
    2    HA   HIS  76           HA       HIS  76   2.409  -4.077 -10.390
    3    HB2  HIS  76           HB2      HIS  76   2.243  -5.384 -12.618
    4    HB3  HIS  76           HB3      HIS  76   1.527  -3.905 -13.260
    5    HD1  HIS  76           HD1      HIS  76   3.408  -2.887 -14.582
    6    HD2  HIS  76           HD2      HIS  76   4.644  -4.093 -10.788
    7    HE1  HIS  76           HE1      HIS  76   5.789  -2.068 -14.311

  No H/Q in entry =           7
  In of MODEL   47
    1    H    ALA  77           H        ALA  77  -0.546  -3.091 -12.098
    2    HA   ALA  77           HA       ALA  77   0.104  -0.314 -12.119
    3    HB3  ALA  77           HB1      ALA  77  -1.502  -0.879 -13.705
    4    HB2  ALA  77           HB2      ALA  77  -2.497  -0.167 -12.436
    5    HB1  ALA  77           HB3      ALA  77  -2.392  -1.920 -12.592

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLN  78           H        GLN  78  -1.839  -2.355  -9.944
    2    HA   GLN  78           HA       GLN  78  -2.776  -0.230  -8.320
    3    HB2  GLN  78           HB2      GLN  78  -3.641  -2.645  -8.469
    4    HB3  GLN  78           HB3      GLN  78  -2.322  -3.060  -7.374
    5    HG2  GLN  78           HG2      GLN  78  -3.155  -1.388  -5.756
    6    HG3  GLN  78           HG3      GLN  78  -4.495  -1.018  -6.839
    7   HE21  GLN  78          HE21      GLN  78  -5.644  -1.813  -4.677
    8   HE22  GLN  78          HE22      GLN  78  -6.008  -3.470  -4.620

  No H/Q in entry =           8
  In of MODEL   47
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   47
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.297   0.917 -10.478
    4    HB3  HIS  80           HB3      HIS  80   2.998   2.523 -10.285
    5    HD1  HIS  80           HD1      HIS  80   5.449   2.702 -10.658
    6    HD2  HIS  80           HD2      HIS  80   4.307  -1.218  -9.819
    7    HE1  HIS  80           HE1      HIS  80   7.541   1.279 -10.884
    8    HE2  HIS  80           HE2      HIS  80   6.855  -1.115 -10.376

  No H/Q in entry =           8
  In of MODEL   47
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   47
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   47
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   47
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   47
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   47
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   47
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   47
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   47
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   47
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   47
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   47
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   47
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   47
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   47
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   47
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   47
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   47
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   47
    1    H    PHE   9           H        PHE   9 -21.298   0.646  -3.917
    2    HA   PHE   9           HA       PHE   9 -18.536   1.546  -4.521
    3    HB2  PHE   9           HB2      PHE   9 -20.383   2.461  -2.309
    4    HB3  PHE   9           HB3      PHE   9 -18.676   2.884  -2.425
    5    HD1  PHE   9           HD1      PHE   9 -22.022   3.487  -3.720
    6    HD2  PHE   9           HD2      PHE   9 -17.842   4.224  -4.364
    7    HE1  PHE   9           HE1      PHE   9 -22.588   5.327  -5.282
    8    HE2  PHE   9           HE2      PHE   9 -18.407   6.063  -5.930
    9    HZ   PHE   9           HZ       PHE   9 -20.781   6.614  -6.389

  No H/Q in entry =           9
  In of MODEL   47
    1    H    CYS  10           H        CYS  10 -16.955   0.956  -3.194
    2    HA   CYS  10           HA       CYS  10 -17.205  -0.668  -0.836
    3    HB2  CYS  10           HB2      CYS  10 -16.138  -2.650  -1.585
    4    HB3  CYS  10           HB3      CYS  10 -17.335  -2.297  -2.835

  No H/Q in entry =           4
  In of MODEL   47
    1    H    SER  11           H        SER  11 -14.447  -1.409  -0.413
    2    HA   SER  11           HA       SER  11 -13.472   1.220  -0.056
    3    HB2  SER  11           HB2      SER  11 -11.207  -0.204   0.231
    4    HB3  SER  11           HB3      SER  11 -12.436  -0.126   1.476
    5    HG   SER  11           HG       SER  11 -11.703  -2.195  -0.180

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA  12           H        ALA  12 -12.184  -1.353  -2.320
    2    HA   ALA  12           HA       ALA  12 -10.768   0.848  -3.676
    3    HB3  ALA  12           HB1      ALA  12  -9.015  -0.538  -3.474
    4    HB2  ALA  12           HB2      ALA  12  -9.797  -1.584  -4.657
    5    HB1  ALA  12           HB3      ALA  12 -10.043  -1.864  -2.934

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLY  13           H        GLY  13 -13.176  -1.634  -4.105
    2    HA3  GLY  13           HA2      GLY  13 -14.815  -1.457  -5.821
    3    HA2  GLY  13           HA3      GLY  13 -13.625  -0.645  -6.832

  No H/Q in entry =           3
  In of MODEL   47
    1    H    MET  14           H        MET  14 -12.715  -3.592  -5.112
    2    HA   MET  14           HA       MET  14 -12.505  -4.883  -7.752
    3    HB2  MET  14           HB2      MET  14 -10.458  -4.621  -6.304
    4    HB3  MET  14           HB3      MET  14 -11.190  -5.774  -5.187
    5    HG2  MET  14           HG2      MET  14 -11.480  -7.266  -7.315
    6    HG3  MET  14           HG3      MET  14 -10.241  -6.222  -8.008
    7    HE1  MET  14           HE1      MET  14  -8.932  -8.014  -8.506
    8    HE3  MET  14           HE2      MET  14  -7.791  -8.838  -7.448
    9    HE2  MET  14           HE3      MET  14  -7.607  -7.115  -7.757

  No H/Q in entry =           9
  In of MODEL   47
    1    H    SER  15           H        SER  15 -12.853  -6.275  -4.520
    2    HA   SER  15           HA       SER  15 -14.064  -8.614  -5.224
    3    HB2  SER  15           HB2      SER  15 -13.434  -7.755  -2.875
    4    HB3  SER  15           HB3      SER  15 -15.083  -7.132  -2.822
    5    HG   SER  15           HG       SER  15 -15.401  -9.492  -3.728

  No H/Q in entry =           5
  In of MODEL   47
    1    H    THR  16           H        THR  16 -15.511  -5.456  -5.462
    2    HA   THR  16           HA       THR  16 -18.194  -6.671  -5.631
    3    HB   THR  16           HB       THR  16 -17.434  -3.755  -5.938
    4    HG1  THR  16           HG1      THR  16 -18.451  -3.883  -3.690
    5   HG22  THR  16          HG21      THR  16 -19.909  -3.626  -5.102
    6   HG21  THR  16          HG22      THR  16 -20.001  -5.296  -5.666
    7   HG23  THR  16          HG23      THR  16 -19.595  -4.004  -6.797

  No H/Q in entry =           7
  In of MODEL   47
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   47
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   47
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   47
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   47
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   47
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   47
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   47
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   47
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   47
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   47
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   47
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   47
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   47
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   47
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   47
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   47
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   47
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   47
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   47
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   47
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   47
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   47
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   47
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   47
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   47
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   47
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   47
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.437   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.053  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.563  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.794  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.016  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.010

  No H/Q in entry =           7
  In of MODEL   47
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   47
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   47
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   47
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   47
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   47
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   47
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   47
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   47
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   47
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   47
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   47
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   47
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   47
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   47
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   47
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   47
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   47
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   47
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   47
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   47
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   47
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   47
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   47
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   47
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   47
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   47
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   47
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   47
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   47
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   47
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   47
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   47
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   47
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   47
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   47
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   47
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   47
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   48
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   48
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.283 -14.274  -2.736
    4    HB3  GLU   5           HB3      GLU   5 -14.690 -13.939  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.592 -11.564  -2.337
    6    HG3  GLU   5           HG3      GLU   5 -13.153 -11.861  -3.313

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   48
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   48
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   48
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.429   1.547
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.707   1.339
    5    HG2  MET   9           HG2      MET   9 -14.260  -6.804  -0.974
    6    HG3  MET   9           HG3      MET   9 -13.816  -8.500  -0.782
    7    HE1  MET   9           HE1      MET   9 -16.320  -5.827  -0.957
    8    HE3  MET   9           HE2      MET   9 -17.150  -6.481   0.451
    9    HE2  MET   9           HE3      MET   9 -17.912  -6.570  -1.130

  No H/Q in entry =           9
  In of MODEL   48
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   48
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.383   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.251  -6.174   0.966
    5   HG13  ILE  12          HG13      ILE  12  -9.696  -5.421  -0.553
    6   HG21  ILE  12          HG21      ILE  12 -10.224  -2.038   0.929
    7   HG23  ILE  12          HG22      ILE  12 -10.288  -2.954  -0.578
    8   HG22  ILE  12          HG23      ILE  12  -8.737  -2.639   0.209
    9   HD12  ILE  12          HD11      ILE  12  -7.163  -5.013   1.046
   10   HD11  ILE  12          HD12      ILE  12  -7.635  -3.973  -0.286
   11   HD13  ILE  12          HD13      ILE  12  -7.337  -5.682  -0.568

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.607   5.232
    4   HG12  ILE  13          HG12      ILE  13 -13.496  -3.066   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.926  -3.519   3.578
    6   HG22  ILE  13          HG21      ILE  13 -15.159  -1.850   5.673
    7   HG21  ILE  13          HG22      ILE  13 -13.871  -0.663   5.467
    8   HG23  ILE  13          HG23      ILE  13 -13.757  -1.875   6.744
    9   HD11  ILE  13          HD11      ILE  13 -14.215  -0.616   3.436
   10   HD13  ILE  13          HD12      ILE  13 -15.799  -1.374   3.544
   11   HD12  ILE  13          HD13      ILE  13 -14.929  -1.371   2.013

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   48
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   48
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   48
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   48
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   48
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   48
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   48
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   48
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   48
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   48
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   48
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   48
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   48
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   48
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   48
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   48
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   48
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   48
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   48
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   48
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.936  -6.673  10.553
    4    HB3  HIS  52           HB3      HIS  52  -1.118  -7.736  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.171 -10.105  11.763
    6    HD2  HIS  52           HD2      HIS  52   1.333  -7.186   9.023
    7    HE1  HIS  52           HE1      HIS  52   2.398 -10.856  10.819
    8    HE2  HIS  52           HE2      HIS  52   3.121  -9.086   9.147

  No H/Q in entry =           8
  In of MODEL   48
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   48
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   48
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   48
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.218  10.983
    4    HG1  THR  56           HG1      THR  56   0.956 -12.441  10.232
    5   HG22  THR  56          HG21      THR  56   1.854 -14.281  10.513
    6   HG21  THR  56          HG22      THR  56   0.938 -15.690   9.980
    7   HG23  THR  56          HG23      THR  56   0.874 -15.185  11.667

  No H/Q in entry =           7
  In of MODEL   48
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   48
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.300 -14.625   4.866
    4   HG12  ILE  59          HG12      ILE  59   2.442 -16.286   3.534
    5   HG13  ILE  59          HG13      ILE  59   1.209 -15.435   2.617
    6   HG21  ILE  59          HG21      ILE  59   1.134 -16.487   6.635
    7   HG23  ILE  59          HG22      ILE  59   1.892 -14.927   6.462
    8   HG22  ILE  59          HG23      ILE  59   2.593 -16.331   5.673
    9   HD13  ILE  59          HD11      ILE  59   3.036 -13.922   2.715
   10   HD12  ILE  59          HD12      ILE  59   3.316 -14.259   4.423
   11   HD11  ILE  59          HD13      ILE  59   1.897 -13.339   3.929

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   48
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   48
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   48
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   48
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   48
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   48
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   48
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   48
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LEU  74           H        LEU  74  -4.292 -13.683  -2.342
    2    HA   LEU  74           HA       LEU  74  -3.883 -12.583   0.165
    3    HB2  LEU  74           HB2      LEU  74  -2.969 -14.720  -0.509
    4    HB3  LEU  74           HB3      LEU  74  -1.967 -13.950  -1.734
    5    HG   LEU  74           HG       LEU  74  -0.722 -12.767   0.038
    6   HD13  LEU  74          HD11      LEU  74  -2.242 -12.511   1.818
    7   HD12  LEU  74          HD12      LEU  74  -1.145 -13.754   2.414
    8   HD11  LEU  74          HD13      LEU  74  -2.726 -14.206   1.776
    9   HD23  LEU  74          HD21      LEU  74  -0.759 -15.680   0.830
   10   HD22  LEU  74          HD22      LEU  74   0.615 -14.621   0.570
   11   HD21  LEU  74          HD23      LEU  74  -0.291 -15.231  -0.809

  No H/Q in entry =          11
  In of MODEL   48
    1    H    VAL  75           H        VAL  75  -2.646 -11.579  -2.928
    2    HA   VAL  75           HA       VAL  75  -0.704  -9.746  -1.882
    3    HB   VAL  75           HB       VAL  75  -1.985  -9.875  -4.630
    4   HG11  VAL  75          HG11      VAL  75   0.176  -8.217  -3.419
    5   HG13  VAL  75          HG12      VAL  75  -0.974  -7.808  -4.691
    6   HG12  VAL  75          HG13      VAL  75   0.434  -8.802  -5.062
    7   HG23  VAL  75          HG21      VAL  75   0.278 -10.984  -5.171
    8   HG22  VAL  75          HG22      VAL  75  -0.875 -11.961  -4.264
    9   HG21  VAL  75          HG23      VAL  75   0.467 -11.183  -3.429

  No H/Q in entry =           9
  In of MODEL   48
    1    H    HIS  76           H        HIS  76  -4.298  -9.333  -3.254
    2    HA   HIS  76           HA       HIS  76  -4.633  -6.565  -3.157
    3    HB2  HIS  76           HB2      HIS  76  -6.355  -8.136  -4.050
    4    HB3  HIS  76           HB3      HIS  76  -6.733  -8.626  -2.404
    5    HD1  HIS  76           HD1      HIS  76  -6.003  -5.004  -2.745
    6    HD2  HIS  76           HD2      HIS  76  -9.407  -7.427  -2.970
    7    HE1  HIS  76           HE1      HIS  76  -8.014  -3.448  -2.613

  No H/Q in entry =           7
  In of MODEL   48
    1    H    ALA  77           H        ALA  77  -4.705  -8.939  -0.586
    2    HA   ALA  77           HA       ALA  77  -5.526  -7.020   1.432
    3    HB3  ALA  77           HB1      ALA  77  -6.262  -9.159   1.976
    4    HB2  ALA  77           HB2      ALA  77  -4.803  -9.022   2.956
    5    HB1  ALA  77           HB3      ALA  77  -4.765  -9.927   1.443

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLN  78           H        GLN  78  -2.510  -8.752   0.556
    2    HA   GLN  78           HA       GLN  78  -0.939  -7.690   2.642
    3    HB2  GLN  78           HB2      GLN  78  -0.397  -9.640   1.077
    4    HB3  GLN  78           HB3      GLN  78   0.095  -8.423  -0.100
    5    HG2  GLN  78           HG2      GLN  78   1.701  -7.504   1.535
    6    HG3  GLN  78           HG3      GLN  78   1.228  -8.745   2.693
    7   HE21  GLN  78          HE21      GLN  78   3.924  -8.613   1.814
    8   HE22  GLN  78          HE22      GLN  78   4.249  -9.962   0.837

  No H/Q in entry =           8
  In of MODEL   48
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   48
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.180
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.799   2.199
    5    HD1  HIS  80           HD1      HIS  80  -6.725  -0.968   1.164
    6    HD2  HIS  80           HD2      HIS  80  -5.026  -3.454  -1.719
    7    HE1  HIS  80           HE1      HIS  80  -7.598  -0.165  -1.081
    8    HE2  HIS  80           HE2      HIS  80  -6.568  -1.675  -2.848

  No H/Q in entry =           8
  In of MODEL   48
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   48
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   48
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   48
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   48
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   48
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   48
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   48
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   48
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   48
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   48
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   48
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   48
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   48
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   48
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.433 -20.437  -4.414
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.881  -3.463
    5    HG2  GLU   5           HG2      GLU   5  10.872 -19.818  -1.477
    6    HG3  GLU   5           HG3      GLU   5   9.459 -19.342  -2.418

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   48
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   48
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   48
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.041 -16.704   0.860
    4    HB3  MET   9           HB3      MET   9  13.724 -16.163   2.509
    5    HG2  MET   9           HG2      MET   9  11.332 -16.588   2.223
    6    HG3  MET   9           HG3      MET   9  11.596 -17.053   0.541
    7    HE1  MET   9           HE1      MET   9  12.067 -17.620   4.151
    8    HE3  MET   9           HE2      MET   9  13.765 -18.000   3.875
    9    HE2  MET   9           HE3      MET   9  12.653 -19.273   4.373

  No H/Q in entry =           9
  In of MODEL   48
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   48
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.313
    4   HG12  ILE  12          HG12      ILE  12  10.854 -11.571  -0.012
    5   HG13  ILE  12          HG13      ILE  12   9.635 -12.255   1.044
    6   HG23  ILE  12          HG21      ILE  12  10.857 -10.574   4.134
    7   HG22  ILE  12          HG22      ILE  12   9.512 -11.473   3.430
    8   HG21  ILE  12          HG23      ILE  12   9.728  -9.765   3.049
    9   HD12  ILE  12          HD11      ILE  12   9.863  -9.413   0.056
   10   HD11  ILE  12          HD12      ILE  12   8.814  -9.870   1.386
   11   HD13  ILE  12          HD13      ILE  12   8.561 -10.562  -0.211

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.815 -12.625   4.654
    5   HG13  ILE  13          HG13      ILE  13  15.293 -13.528   4.967
    6   HG22  ILE  13          HG21      ILE  13  17.009 -11.968   6.271
    7   HG21  ILE  13          HG22      ILE  13  16.135 -10.477   6.623
    8   HG23  ILE  13          HG23      ILE  13  17.414 -10.484   5.409
    9   HD11  ILE  13          HD11      ILE  13  14.423 -11.553   7.035
   10   HD13  ILE  13          HD12      ILE  13  15.234 -13.105   7.235
   11   HD12  ILE  13          HD13      ILE  13  13.505 -13.051   6.897

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   48
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   48
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   48
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   48
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   48
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   48
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   48
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   48
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   48
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   48
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   48
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   48
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   48
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   48
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   48
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   48
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   48
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   48
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   48
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   48
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.301  -1.676  -5.692
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.640
    5    HD1  HIS  52           HD1      HIS  52  17.430  -2.092  -9.301
    6    HD2  HIS  52           HD2      HIS  52  14.072  -0.873  -7.152
    7    HE1  HIS  52           HE1      HIS  52  15.781  -1.194 -10.999
    8    HE2  HIS  52           HE2      HIS  52  13.728  -0.445  -9.706

  No H/Q in entry =           8
  In of MODEL   48
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   48
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   48
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   48
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.062
    4    HG1  THR  56           HG1      THR  56  16.062  -3.321 -11.544
    5   HG22  THR  56          HG21      THR  56  16.206  -3.468 -13.599
    6   HG21  THR  56          HG22      THR  56  16.303  -5.097 -14.265
    7   HG23  THR  56          HG23      THR  56  17.776  -4.177 -13.972

  No H/Q in entry =           7
  In of MODEL   48
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   48
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.795  -7.175 -12.515
    4   HG12  ILE  59          HG12      ILE  59   9.956  -6.967 -14.904
    5   HG13  ILE  59          HG13      ILE  59   9.511  -7.847 -13.451
    6   HG21  ILE  59          HG21      ILE  59  13.319  -6.747 -14.700
    7   HG23  ILE  59          HG22      ILE  59  12.625  -5.457 -13.753
    8   HG22  ILE  59          HG23      ILE  59  11.835  -5.976 -15.233
    9   HD13  ILE  59          HD11      ILE  59   8.640  -5.663 -13.123
   10   HD12  ILE  59          HD12      ILE  59  10.117  -4.907 -13.721
   11   HD11  ILE  59          HD13      ILE  59  10.113  -5.717 -12.155

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   48
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   48
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   48
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   48
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   48
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   48
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   48
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   48
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LEU  74           H        LEU  74   7.021 -13.175  -8.617
    2    HA   LEU  74           HA       LEU  74   8.956 -11.246  -8.157
    3    HB2  LEU  74           HB2      LEU  74   8.279 -11.943 -10.377
    4    HB3  LEU  74           HB3      LEU  74   6.655 -11.313 -10.121
    5    HG   LEU  74           HG       LEU  74   7.576  -9.029  -9.949
    6   HD13  LEU  74          HD11      LEU  74   9.763  -9.290  -9.119
    7   HD12  LEU  74          HD12      LEU  74  10.032  -8.850 -10.804
    8   HD11  LEU  74          HD13      LEU  74  10.167 -10.535 -10.300
    9   HD23  LEU  74          HD21      LEU  74   8.722 -10.211 -12.479
   10   HD22  LEU  74          HD22      LEU  74   7.771  -8.751 -12.269
   11   HD21  LEU  74          HD23      LEU  74   6.990 -10.325 -12.174

  No H/Q in entry =          11
  In of MODEL   48
    1    H    VAL  75           H        VAL  75   5.482 -11.031  -7.836
    2    HA   VAL  75           HA       VAL  75   5.372  -8.233  -7.285
    3    HB   VAL  75           HB       VAL  75   3.435 -10.449  -6.546
    4   HG11  VAL  75          HG11      VAL  75   3.379  -7.472  -6.260
    5   HG13  VAL  75          HG12      VAL  75   2.707  -8.712  -5.202
    6   HG12  VAL  75          HG13      VAL  75   1.881  -8.292  -6.702
    7   HG23  VAL  75          HG21      VAL  75   2.185  -9.411  -8.557
    8   HG22  VAL  75          HG22      VAL  75   3.599 -10.397  -8.927
    9   HG21  VAL  75          HG23      VAL  75   3.720  -8.639  -8.956

  No H/Q in entry =           9
  In of MODEL   48
    1    H    HIS  76           H        HIS  76   5.574 -11.202  -5.146
    2    HA   HIS  76           HA       HIS  76   5.291  -9.983  -2.652
    3    HB2  HIS  76           HB2      HIS  76   5.511 -12.476  -3.157
    4    HB3  HIS  76           HB3      HIS  76   7.256 -12.211  -3.187
    5    HD1  HIS  76           HD1      HIS  76   5.667  -9.945  -0.839
    6    HD2  HIS  76           HD2      HIS  76   7.067 -13.869  -0.685
    7    HE1  HIS  76           HE1      HIS  76   5.919 -10.520   1.614

  No H/Q in entry =           7
  In of MODEL   48
    1    H    ALA  77           H        ALA  77   8.212 -10.433  -4.623
    2    HA   ALA  77           HA       ALA  77   9.951  -9.140  -2.752
    3    HB1  ALA  77           HB1      ALA  77  11.116 -10.524  -4.206
    4    HB3  ALA  77           HB2      ALA  77  11.397  -8.946  -4.940
    5    HB2  ALA  77           HB3      ALA  77  10.173 -10.023  -5.611

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLN  78           H        GLN  78   8.196  -8.081  -5.654
    2    HA   GLN  78           HA       GLN  78   9.302  -5.482  -5.777
    3    HB2  GLN  78           HB2      GLN  78   7.931  -6.729  -7.552
    4    HB3  GLN  78           HB3      GLN  78   6.506  -6.219  -6.647
    5    HG2  GLN  78           HG2      GLN  78   7.207  -3.866  -6.874
    6    HG3  GLN  78           HG3      GLN  78   8.618  -4.377  -7.798
    7   HE21  GLN  78          HE21      GLN  78   6.713  -2.643  -8.991
    8   HE22  GLN  78          HE22      GLN  78   5.887  -3.492 -10.208

  No H/Q in entry =           8
  In of MODEL   48
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   48
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.171  -7.450  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.037  -6.564   0.739
    5    HD1  HIS  80           HD1      HIS  80   9.400  -7.073   3.091
    6    HD2  HIS  80           HD2      HIS  80   6.438  -8.252   0.405
    7    HE1  HIS  80           HE1      HIS  80   7.618  -8.259   4.459
    8    HE2  HIS  80           HE2      HIS  80   5.806  -8.982   2.830

  No H/Q in entry =           8
  In of MODEL   48
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   48
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   48
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   48
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   48
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   48
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   48
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   48
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   48
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   48
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   48
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   48
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   48
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   48
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   48
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.112  -6.383 -21.725
    4    HB3  GLU   5           HB3      GLU   5   0.411  -5.154 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.478  -4.484 -21.813
    6    HG3  GLU   5           HG3      GLU   5   2.176  -5.663 -20.539

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   48
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   48
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   48
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.886   0.439 -21.001
    4    HB3  MET   9           HB3      MET   9   4.429   1.167 -20.550
    5    HG2  MET   9           HG2      MET   9   5.201  -0.969 -19.636
    6    HG3  MET   9           HG3      MET   9   3.640  -1.708 -19.993
    7    HE1  MET   9           HE1      MET   9   6.784  -0.139 -21.085
    8    HE3  MET   9           HE2      MET   9   5.902   0.827 -22.265
    9    HE2  MET   9           HE3      MET   9   6.982  -0.452 -22.815

  No H/Q in entry =           9
  In of MODEL   48
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   48
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.477   1.687 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.668   0.276 -14.897
    5   HG13  ILE  12          HG13      ILE  12   4.215  -0.542 -14.949
    6   HG23  ILE  12          HG21      ILE  12   6.264   2.526 -14.477
    7   HG22  ILE  12          HG22      ILE  12   6.300   0.763 -14.467
    8   HG21  ILE  12          HG23      ILE  12   5.632   1.638 -13.091
    9   HD12  ILE  12          HD11      ILE  12   2.831   0.666 -12.555
   10   HD11  ILE  12          HD12      ILE  12   4.519   0.185 -12.534
   11   HD13  ILE  12          HD13      ILE  12   3.265  -1.013 -12.831

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.812 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.820   3.926 -17.796
    5   HG13  ILE  13          HG13      ILE  13   5.630   4.713 -19.360
    6   HG22  ILE  13          HG21      ILE  13   5.880   7.342 -19.056
    7   HG21  ILE  13          HG22      ILE  13   6.353   7.587 -17.375
    8   HG23  ILE  13          HG23      ILE  13   4.736   8.040 -17.910
    9   HD11  ILE  13          HD11      ILE  13   7.571   5.926 -17.440
   10   HD13  ILE  13          HD12      ILE  13   7.641   5.828 -19.199
   11   HD12  ILE  13          HD13      ILE  13   8.031   4.414 -18.221

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   48
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   48
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   48
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   48
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   48
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   48
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   48
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   48
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   48
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   48
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   48
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   48
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   48
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   48
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   48
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   48
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   48
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   48
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   48
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   48
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.027  -8.745
    4    HB3  HIS  52           HB3      HIS  52  -7.521   7.698  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.730   6.160  -9.313
    6    HD2  HIS  52           HD2      HIS  52  -6.595   5.144  -6.762
    7    HE1  HIS  52           HE1      HIS  52 -10.716   4.658  -7.535
    8    HE2  HIS  52           HE2      HIS  52  -8.819   4.033  -5.963

  No H/Q in entry =           8
  In of MODEL   48
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   48
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   48
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   48
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.901   3.587 -12.099
    4    HG1  THR  56           HG1      THR  56 -11.053   3.558  -9.416
    5   HG22  THR  56          HG21      THR  56 -12.949   2.781  -9.432
    6   HG21  THR  56          HG22      THR  56 -13.307   1.678 -10.760
    7   HG23  THR  56          HG23      THR  56 -13.809   3.364 -10.856

  No H/Q in entry =           7
  In of MODEL   48
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   48
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.638  -2.001 -10.396
    4   HG12  ILE  59          HG12      ILE  59 -11.020  -4.263  -8.962
    5   HG13  ILE  59          HG13      ILE  59  -9.455  -4.490  -9.725
    6   HG21  ILE  59          HG21      ILE  59 -12.581  -2.385 -10.119
    7   HG23  ILE  59          HG22      ILE  59 -11.653  -0.909 -10.117
    8   HG22  ILE  59          HG23      ILE  59 -11.676  -1.928  -8.687
    9   HD13  ILE  59          HD11      ILE  59  -8.838  -3.857  -7.564
   10   HD12  ILE  59          HD12      ILE  59 -10.178  -2.723  -7.415
   11   HD11  ILE  59          HD13      ILE  59  -8.790  -2.318  -8.423

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   48
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   48
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   48
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   48
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   48
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   48
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   48
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   48
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   48
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LEU  74           H        LEU  74  -3.310  -7.010 -13.414
    2    HA   LEU  74           HA       LEU  74  -3.946  -4.376 -12.839
    3    HB2  LEU  74           HB2      LEU  74  -5.590  -6.157 -12.856
    4    HB3  LEU  74           HB3      LEU  74  -4.792  -6.965 -11.513
    5    HG   LEU  74           HG       LEU  74  -5.322  -5.041 -10.055
    6   HD13  LEU  74          HD11      LEU  74  -5.427  -3.176 -11.485
    7   HD12  LEU  74          HD12      LEU  74  -7.120  -3.455 -11.081
    8   HD11  LEU  74          HD13      LEU  74  -6.484  -3.993 -12.635
    9   HD23  LEU  74          HD21      LEU  74  -7.909  -5.832 -11.397
   10   HD22  LEU  74          HD22      LEU  74  -7.540  -5.718  -9.685
   11   HD21  LEU  74          HD23      LEU  74  -6.917  -7.067 -10.626

  No H/Q in entry =          11
  In of MODEL   48
    1    H    VAL  75           H        VAL  75  -2.300  -6.747 -10.881
    2    HA   VAL  75           HA       VAL  75  -2.145  -5.181  -8.501
    3    HB   VAL  75           HB       VAL  75  -0.382  -7.463  -9.432
    4   HG11  VAL  75          HG11      VAL  75  -0.561  -5.867  -6.904
    5   HG13  VAL  75          HG12      VAL  75   0.859  -6.540  -7.703
    6   HG12  VAL  75          HG13      VAL  75  -0.216  -7.591  -6.782
    7   HG23  VAL  75          HG21      VAL  75  -1.859  -8.711  -7.721
    8   HG22  VAL  75          HG22      VAL  75  -2.621  -8.293  -9.256
    9   HG21  VAL  75          HG23      VAL  75  -2.940  -7.323  -7.819

  No H/Q in entry =           9
  In of MODEL   48
    1    H    HIS  76           H        HIS  76   0.129  -5.661 -11.329
    2    HA   HIS  76           HA       HIS  76   2.317  -4.210 -10.382
    3    HB2  HIS  76           HB2      HIS  76   2.080  -5.537 -12.581
    4    HB3  HIS  76           HB3      HIS  76   1.416  -4.046 -13.250
    5    HD1  HIS  76           HD1      HIS  76   3.214  -2.820 -14.450
    6    HD2  HIS  76           HD2      HIS  76   4.657  -4.616 -10.976
    7    HE1  HIS  76           HE1      HIS  76   5.656  -2.172 -14.270

  No H/Q in entry =           7
  In of MODEL   48
    1    H    ALA  77           H        ALA  77  -0.578  -3.066 -12.088
    2    HA   ALA  77           HA       ALA  77   0.230  -0.318 -12.082
    3    HB1  ALA  77           HB1      ALA  77  -1.360  -0.755 -13.717
    4    HB3  ALA  77           HB2      ALA  77  -2.364  -0.049 -12.451
    5    HB2  ALA  77           HB3      ALA  77  -2.317  -1.799 -12.664

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLN  78           H        GLN  78  -1.826  -2.316  -9.984
    2    HA   GLN  78           HA       GLN  78  -2.761  -0.211  -8.342
    3    HB2  GLN  78           HB2      GLN  78  -3.635  -2.615  -8.513
    4    HB3  GLN  78           HB3      GLN  78  -2.314  -3.055  -7.431
    5    HG2  GLN  78           HG2      GLN  78  -3.131  -1.417  -5.778
    6    HG3  GLN  78           HG3      GLN  78  -4.467  -1.005  -6.851
    7   HE21  GLN  78          HE21      GLN  78  -5.012  -2.050  -4.267
    8   HE22  GLN  78          HE22      GLN  78  -5.657  -3.611  -4.434

  No H/Q in entry =           8
  In of MODEL   48
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   48
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.311   0.896 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.974   2.521 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.426   2.760 -10.635
    6    HD2  HIS  80           HD2      HIS  80   4.366  -1.190  -9.832
    7    HE1  HIS  80           HE1      HIS  80   7.550   1.385 -10.860
    8    HE2  HIS  80           HE2      HIS  80   6.914  -1.027 -10.374

  No H/Q in entry =           8
  In of MODEL   48
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   48
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   48
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   48
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   48
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   48
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   48
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   48
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   48
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   48
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   48
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   48
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   48
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   48
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   48
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   48
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   48
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   48
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   48
    1    H    PHE   9           H        PHE   9 -21.277   0.636  -3.907
    2    HA   PHE   9           HA       PHE   9 -18.521   1.529  -4.553
    3    HB2  PHE   9           HB2      PHE   9 -20.330   2.439  -2.309
    4    HB3  PHE   9           HB3      PHE   9 -18.621   2.851  -2.442
    5    HD1  PHE   9           HD1      PHE   9 -21.971   3.583  -3.581
    6    HD2  PHE   9           HD2      PHE   9 -17.808   4.103  -4.493
    7    HE1  PHE   9           HE1      PHE   9 -22.542   5.438  -5.123
    8    HE2  PHE   9           HE2      PHE   9 -18.379   5.958  -6.039
    9    HZ   PHE   9           HZ       PHE   9 -20.746   6.625  -6.353

  No H/Q in entry =           9
  In of MODEL   48
    1    H    CYS  10           H        CYS  10 -16.904   0.899  -3.260
    2    HA   CYS  10           HA       CYS  10 -17.166  -0.792  -0.938
    3    HB2  CYS  10           HB2      CYS  10 -16.097  -2.737  -1.749
    4    HB3  CYS  10           HB3      CYS  10 -17.241  -2.326  -3.031

  No H/Q in entry =           4
  In of MODEL   48
    1    H    SER  11           H        SER  11 -14.435  -1.486  -0.433
    2    HA   SER  11           HA       SER  11 -13.449   1.117  -0.024
    3    HB2  SER  11           HB2      SER  11 -12.116  -1.578   0.081
    4    HB3  SER  11           HB3      SER  11 -11.210  -0.107   0.364
    5    HG   SER  11           HG       SER  11 -12.867   0.400   1.957

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA  12           H        ALA  12 -12.188  -1.356  -2.391
    2    HA   ALA  12           HA       ALA  12 -10.799   0.887  -3.696
    3    HB3  ALA  12           HB1      ALA  12  -9.064  -0.531  -3.666
    4    HB2  ALA  12           HB2      ALA  12  -9.935  -1.547  -4.814
    5    HB1  ALA  12           HB3      ALA  12 -10.084  -1.846  -3.083

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLY  13           H        GLY  13 -12.888  -1.896  -4.348
    2    HA3  GLY  13           HA2      GLY  13 -14.714  -1.506  -5.960
    3    HA2  GLY  13           HA3      GLY  13 -13.518  -0.720  -6.983

  No H/Q in entry =           3
  In of MODEL   48
    1    H    MET  14           H        MET  14 -12.748  -3.710  -5.229
    2    HA   MET  14           HA       MET  14 -12.575  -5.019  -7.869
    3    HB2  MET  14           HB2      MET  14 -10.481  -4.728  -6.478
    4    HB3  MET  14           HB3      MET  14 -11.170  -5.894  -5.348
    5    HG2  MET  14           HG2      MET  14 -11.377  -7.537  -7.196
    6    HG3  MET  14           HG3      MET  14 -10.637  -6.377  -8.296
    7    HE2  MET  14           HE1      MET  14  -8.679  -7.826  -9.039
    8    HE1  MET  14           HE2      MET  14  -9.482  -9.132  -8.172
    9    HE3  MET  14           HE3      MET  14  -7.754  -8.872  -7.956

  No H/Q in entry =           9
  In of MODEL   48
    1    H    SER  15           H        SER  15 -12.859  -6.314  -4.574
    2    HA   SER  15           HA       SER  15 -14.103  -8.670  -5.185
    3    HB2  SER  15           HB2      SER  15 -15.103  -7.116  -2.829
    4    HB3  SER  15           HB3      SER  15 -14.765  -8.842  -2.968
    5    HG   SER  15           HG       SER  15 -12.576  -8.365  -3.048

  No H/Q in entry =           5
  In of MODEL   48
    1    H    THR  16           H        THR  16 -15.522  -5.481  -5.464
    2    HA   THR  16           HA       THR  16 -18.207  -6.693  -5.640
    3    HB   THR  16           HB       THR  16 -17.455  -3.775  -5.941
    4    HG1  THR  16           HG1      THR  16 -17.278  -5.271  -3.807
    5   HG21  THR  16          HG21      THR  16 -20.018  -5.321  -5.623
    6   HG23  THR  16          HG22      THR  16 -19.622  -4.062  -6.794
    7   HG22  THR  16          HG23      THR  16 -19.918  -3.636  -5.108

  No H/Q in entry =           7
  In of MODEL   48
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   48
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   48
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   48
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   48
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   48
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   48
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   48
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   48
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   48
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   48
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   48
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   48
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   48
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   48
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   48
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   48
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   48
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   48
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   48
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   48
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   48
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   48
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   48
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   48
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   48
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   48
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   48
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.051  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.561  -6.668   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.794
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   48
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   48
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   48
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   48
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   48
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   48
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   48
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   48
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   48
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   48
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   48
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   48
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   48
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   48
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   48
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   48
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   48
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   48
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   48
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   48
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   48
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   48
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   48
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   48
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   48
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   48
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   48
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   48
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   48
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   48
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   48
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   48
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   48
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   48
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   48
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   48
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   48
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   48
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   49
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   49
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.295 -14.296  -2.719
    4    HB3  GLU   5           HB3      GLU   5 -14.702 -13.911  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.539 -11.547  -2.376
    6    HG3  GLU   5           HG3      GLU   5 -13.107 -11.901  -3.344

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   49
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   49
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   49
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.706  -8.434   1.540
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.711   1.347
    5    HG2  MET   9           HG2      MET   9 -14.305  -6.777  -0.966
    6    HG3  MET   9           HG3      MET   9 -13.789  -8.454  -0.797
    7    HE2  MET   9           HE1      MET   9 -17.879  -6.603  -1.119
    8    HE1  MET   9           HE2      MET   9 -16.363  -5.907  -0.559
    9    HE3  MET   9           HE3      MET   9 -17.382  -6.791   0.565

  No H/Q in entry =           9
  In of MODEL   49
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   49
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.945  -4.380   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.255  -6.176   0.969
    5   HG13  ILE  12          HG13      ILE  12  -9.699  -5.424  -0.551
    6   HG22  ILE  12          HG21      ILE  12  -8.734  -2.627   0.196
    7   HG21  ILE  12          HG22      ILE  12 -10.235  -2.037   0.913
    8   HG23  ILE  12          HG23      ILE  12 -10.271  -2.986  -0.579
    9   HD13  ILE  12          HD11      ILE  12  -7.312  -5.677  -0.560
   10   HD12  ILE  12          HD12      ILE  12  -7.180  -5.028   1.065
   11   HD11  ILE  12          HD13      ILE  12  -7.641  -3.977  -0.266

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.495  -3.070   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.925  -3.521   3.578
    6   HG23  ILE  13          HG21      ILE  13 -13.729  -1.845   6.737
    7   HG22  ILE  13          HG22      ILE  13 -15.157  -1.878   5.701
    8   HG21  ILE  13          HG23      ILE  13 -13.906  -0.662   5.440
    9   HD11  ILE  13          HD11      ILE  13 -14.210  -0.618   3.424
   10   HD13  ILE  13          HD12      ILE  13 -15.794  -1.372   3.547
   11   HD12  ILE  13          HD13      ILE  13 -14.934  -1.380   2.010

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   49
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   49
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   49
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   49
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   49
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   49
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   49
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   49
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   49
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   49
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   49
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   49
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   49
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   49
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   49
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   49
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   49
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   49
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   49
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   49
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.981  -6.655  10.612
    4    HB3  HIS  52           HB3      HIS  52  -1.079  -7.801  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.232 -10.153  11.512
    6    HD2  HIS  52           HD2      HIS  52   1.295  -6.961   9.052
    7    HE1  HIS  52           HE1      HIS  52   2.460 -10.762  10.472
    8    HE2  HIS  52           HE2      HIS  52   3.123  -8.824   8.970

  No H/Q in entry =           8
  In of MODEL   49
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   49
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   49
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   49
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.093 -14.225  10.983
    4    HG1  THR  56           HG1      THR  56   0.319 -12.191   9.735
    5   HG21  THR  56          HG21      THR  56   1.335 -15.252   9.729
    6   HG23  THR  56          HG22      THR  56   0.653 -15.630  11.309
    7   HG22  THR  56          HG23      THR  56   1.709 -14.233  11.118

  No H/Q in entry =           7
  In of MODEL   49
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   49
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.913
    4   HG12  ILE  59          HG12      ILE  59   2.421 -16.223   3.470
    5   HG13  ILE  59          HG13      ILE  59   1.139 -15.386   2.608
    6   HG21  ILE  59          HG21      ILE  59   1.119 -16.020   6.798
    7   HG23  ILE  59          HG22      ILE  59   2.390 -15.065   6.083
    8   HG22  ILE  59          HG23      ILE  59   2.284 -16.782   5.731
    9   HD11  ILE  59          HD11      ILE  59   1.805 -13.288   3.889
   10   HD13  ILE  59          HD12      ILE  59   2.969 -13.855   2.692
   11   HD12  ILE  59          HD13      ILE  59   3.240 -14.174   4.405

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   49
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   49
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   49
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   49
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   49
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   49
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   49
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   49
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LEU  74           H        LEU  74  -4.289 -13.682  -2.352
    2    HA   LEU  74           HA       LEU  74  -3.890 -12.588   0.161
    3    HB2  LEU  74           HB2      LEU  74  -2.981 -14.728  -0.514
    4    HB3  LEU  74           HB3      LEU  74  -1.969 -13.958  -1.731
    5    HG   LEU  74           HG       LEU  74  -0.752 -12.767   0.072
    6   HD13  LEU  74          HD11      LEU  74  -2.277 -12.584   1.854
    7   HD12  LEU  74          HD12      LEU  74  -1.163 -13.827   2.419
    8   HD11  LEU  74          HD13      LEU  74  -2.735 -14.284   1.764
    9   HD22  LEU  74          HD21      LEU  74   0.636 -14.604   0.529
   10   HD21  LEU  74          HD22      LEU  74  -0.292 -15.221  -0.827
   11   HD23  LEU  74          HD23      LEU  74  -0.731 -15.679   0.814

  No H/Q in entry =          11
  In of MODEL   49
    1    H    VAL  75           H        VAL  75  -2.661 -11.580  -2.927
    2    HA   VAL  75           HA       VAL  75  -0.708  -9.752  -1.886
    3    HB   VAL  75           HB       VAL  75  -1.992  -9.872  -4.633
    4   HG12  VAL  75          HG11      VAL  75   0.436  -8.827  -5.068
    5   HG11  VAL  75          HG12      VAL  75   0.192  -8.241  -3.423
    6   HG13  VAL  75          HG13      VAL  75  -0.959  -7.819  -4.689
    7   HG22  VAL  75          HG21      VAL  75  -0.111 -11.234  -5.299
    8   HG21  VAL  75          HG22      VAL  75  -0.777 -11.968  -3.841
    9   HG23  VAL  75          HG23      VAL  75   0.685 -10.989  -3.745

  No H/Q in entry =           9
  In of MODEL   49
    1    H    HIS  76           H        HIS  76  -4.303  -9.335  -3.255
    2    HA   HIS  76           HA       HIS  76  -4.638  -6.568  -3.155
    3    HB2  HIS  76           HB2      HIS  76  -6.364  -8.141  -4.040
    4    HB3  HIS  76           HB3      HIS  76  -6.736  -8.628  -2.392
    5    HD1  HIS  76           HD1      HIS  76  -6.005  -5.007  -2.736
    6    HD2  HIS  76           HD2      HIS  76  -9.411  -7.429  -2.957
    7    HE1  HIS  76           HE1      HIS  76  -8.014  -3.450  -2.601

  No H/Q in entry =           7
  In of MODEL   49
    1    H    ALA  77           H        ALA  77  -4.702  -8.943  -0.582
    2    HA   ALA  77           HA       ALA  77  -5.512  -7.029   1.445
    3    HB1  ALA  77           HB1      ALA  77  -4.744  -9.931   1.445
    4    HB3  ALA  77           HB2      ALA  77  -6.245  -9.174   1.977
    5    HB2  ALA  77           HB3      ALA  77  -4.791  -9.036   2.965

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLN  78           H        GLN  78  -2.499  -8.760   0.552
    2    HA   GLN  78           HA       GLN  78  -0.915  -7.704   2.629
    3    HB2  GLN  78           HB2      GLN  78  -0.385  -9.642   1.039
    4    HB3  GLN  78           HB3      GLN  78   0.109  -8.410  -0.122
    5    HG2  GLN  78           HG2      GLN  78   1.696  -7.506   1.564
    6    HG3  GLN  78           HG3      GLN  78   1.251  -8.815   2.656
    7   HE21  GLN  78          HE21      GLN  78   1.136  -9.924  -0.555
    8   HE22  GLN  78          HE22      GLN  78   2.670 -10.646  -0.614

  No H/Q in entry =           8
  In of MODEL   49
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   49
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.177
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.802   2.201
    5    HD1  HIS  80           HD1      HIS  80  -6.704  -0.951   1.169
    6    HD2  HIS  80           HD2      HIS  80  -5.048  -3.463  -1.717
    7    HE1  HIS  80           HE1      HIS  80  -7.584  -0.146  -1.073
    8    HE2  HIS  80           HE2      HIS  80  -6.581  -1.672  -2.842

  No H/Q in entry =           8
  In of MODEL   49
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   49
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   49
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   49
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   49
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   49
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   49
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   49
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   49
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   49
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   49
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   49
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   49
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   49
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   49
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.418 -20.429  -4.406
    4    HB3  GLU   5           HB3      GLU   5  11.852 -20.885  -3.481
    5    HG2  GLU   5           HG2      GLU   5  10.913 -19.864  -1.467
    6    HG3  GLU   5           HG3      GLU   5   9.501 -19.323  -2.375

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   49
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   49
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   49
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.035 -16.707   0.856
    4    HB3  MET   9           HB3      MET   9  13.731 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.349 -16.601   2.261
    6    HG3  MET   9           HG3      MET   9  11.570 -17.022   0.562
    7    HE2  MET   9           HE1      MET   9  12.684 -19.255   4.334
    8    HE1  MET   9           HE2      MET   9  12.428 -17.531   4.077
    9    HE3  MET   9           HE3      MET   9  13.999 -18.246   3.719

  No H/Q in entry =           9
  In of MODEL   49
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   49
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.314
    4   HG12  ILE  12          HG12      ILE  12  10.856 -11.577  -0.010
    5   HG13  ILE  12          HG13      ILE  12   9.632 -12.253   1.046
    6   HG21  ILE  12          HG21      ILE  12   9.714  -9.775   3.044
    7   HG23  ILE  12          HG22      ILE  12  10.851 -10.567   4.135
    8   HG22  ILE  12          HG23      ILE  12   9.521 -11.483   3.429
    9   HD13  ILE  12          HD11      ILE  12   8.554 -10.539  -0.209
   10   HD12  ILE  12          HD12      ILE  12   9.891  -9.427   0.027
   11   HD11  ILE  12          HD13      ILE  12   8.849  -9.848   1.379

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.102 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.814 -12.624   4.657
    5   HG13  ILE  13          HG13      ILE  13  15.292 -13.528   4.966
    6   HG23  ILE  13          HG21      ILE  13  17.391 -10.445   5.418
    7   HG22  ILE  13          HG22      ILE  13  17.043 -11.966   6.239
    8   HG21  ILE  13          HG23      ILE  13  16.125 -10.515   6.644
    9   HD11  ILE  13          HD11      ILE  13  14.423 -11.554   7.037
   10   HD13  ILE  13          HD12      ILE  13  15.241 -13.102   7.235
   11   HD12  ILE  13          HD13      ILE  13  13.511 -13.056   6.901

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   49
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   49
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   49
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   49
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   49
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   49
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   49
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   49
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   49
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   49
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   49
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   49
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   49
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   49
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   49
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   49
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   49
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   49
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   49
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   49
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.371  -1.676  -5.659
    4    HB3  HIS  52           HB3      HIS  52  17.779  -1.775  -6.716
    5    HD1  HIS  52           HD1      HIS  52  17.185  -2.172  -9.349
    6    HD2  HIS  52           HD2      HIS  52  14.080  -0.778  -6.941
    7    HE1  HIS  52           HE1      HIS  52  15.426  -1.242 -10.916
    8    HE2  HIS  52           HE2      HIS  52  13.527  -0.386  -9.463

  No H/Q in entry =           8
  In of MODEL   49
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   49
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   49
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   49
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.457 -12.069
    4    HG1  THR  56           HG1      THR  56  15.835  -3.884 -10.950
    5   HG21  THR  56          HG21      THR  56  15.848  -4.678 -14.073
    6   HG23  THR  56          HG22      THR  56  17.605  -4.727 -14.201
    7   HG22  THR  56          HG23      THR  56  16.810  -3.299 -13.545

  No H/Q in entry =           7
  In of MODEL   49
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   49
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.839  -7.162 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.899  -6.978 -14.834
    5   HG13  ILE  59          HG13      ILE  59   9.525  -7.878 -13.372
    6   HG21  ILE  59          HG21      ILE  59  13.404  -6.458 -14.318
    7   HG23  ILE  59          HG22      ILE  59  12.109  -5.313 -14.086
    8   HG22  ILE  59          HG23      ILE  59  12.073  -6.406 -15.460
    9   HD11  ILE  59          HD11      ILE  59  10.108  -5.772 -12.066
   10   HD13  ILE  59          HD12      ILE  59   8.636  -5.688 -13.032
   11   HD12  ILE  59          HD13      ILE  59  10.116  -4.928 -13.614

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   49
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   49
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   49
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   49
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   49
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   49
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   49
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   49
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LEU  74           H        LEU  74   6.999 -13.171  -8.616
    2    HA   LEU  74           HA       LEU  74   8.957 -11.259  -8.148
    3    HB2  LEU  74           HB2      LEU  74   8.301 -11.960 -10.371
    4    HB3  LEU  74           HB3      LEU  74   6.676 -11.326 -10.134
    5    HG   LEU  74           HG       LEU  74   7.628  -9.041  -9.935
    6   HD13  LEU  74          HD11      LEU  74   9.829  -9.338  -9.161
    7   HD12  LEU  74          HD12      LEU  74  10.066  -8.898 -10.851
    8   HD11  LEU  74          HD13      LEU  74  10.185 -10.586 -10.354
    9   HD22  LEU  74          HD21      LEU  74   7.739  -8.748 -12.261
   10   HD21  LEU  74          HD22      LEU  74   6.987 -10.330 -12.163
   11   HD23  LEU  74          HD23      LEU  74   8.711 -10.200 -12.487

  No H/Q in entry =          11
  In of MODEL   49
    1    H    VAL  75           H        VAL  75   5.489 -11.039  -7.843
    2    HA   VAL  75           HA       VAL  75   5.361  -8.238  -7.325
    3    HB   VAL  75           HB       VAL  75   3.440 -10.458  -6.560
    4   HG12  VAL  75          HG11      VAL  75   1.869  -8.317  -6.727
    5   HG11  VAL  75          HG12      VAL  75   3.360  -7.477  -6.300
    6   HG13  VAL  75          HG13      VAL  75   2.708  -8.716  -5.228
    7   HG22  VAL  75          HG21      VAL  75   2.245  -9.880  -8.589
    8   HG21  VAL  75          HG22      VAL  75   3.930 -10.150  -9.032
    9   HG23  VAL  75          HG23      VAL  75   3.312  -8.507  -8.882

  No H/Q in entry =           9
  In of MODEL   49
    1    H    HIS  76           H        HIS  76   5.572 -11.175  -5.141
    2    HA   HIS  76           HA       HIS  76   5.292  -9.906  -2.668
    3    HB2  HIS  76           HB2      HIS  76   5.474 -12.406  -3.110
    4    HB3  HIS  76           HB3      HIS  76   7.222 -12.172  -3.177
    5    HD1  HIS  76           HD1      HIS  76   5.253 -10.049  -0.834
    6    HD2  HIS  76           HD2      HIS  76   7.507 -13.552  -0.653
    7    HE1  HIS  76           HE1      HIS  76   5.656 -10.516   1.622

  No H/Q in entry =           7
  In of MODEL   49
    1    H    ALA  77           H        ALA  77   8.208 -10.432  -4.623
    2    HA   ALA  77           HA       ALA  77   9.959  -9.131  -2.776
    3    HB2  ALA  77           HB1      ALA  77  10.153 -10.020  -5.632
    4    HB1  ALA  77           HB2      ALA  77  11.104 -10.526  -4.235
    5    HB3  ALA  77           HB3      ALA  77  11.396  -8.952  -4.975

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLN  78           H        GLN  78   8.178  -8.077  -5.658
    2    HA   GLN  78           HA       GLN  78   9.281  -5.474  -5.803
    3    HB2  GLN  78           HB2      GLN  78   7.888  -6.739  -7.556
    4    HB3  GLN  78           HB3      GLN  78   6.477  -6.209  -6.642
    5    HG2  GLN  78           HG2      GLN  78   7.235  -3.859  -6.884
    6    HG3  GLN  78           HG3      GLN  78   8.586  -4.415  -7.870
    7   HE21  GLN  78          HE21      GLN  78   5.894  -6.403  -8.426
    8   HE22  GLN  78          HE22      GLN  78   5.319  -5.645  -9.832

  No H/Q in entry =           8
  In of MODEL   49
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   49
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.171  -7.451  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.037  -6.564   0.738
    5    HD1  HIS  80           HD1      HIS  80   9.388  -7.049   3.095
    6    HD2  HIS  80           HD2      HIS  80   6.450  -8.274   0.403
    7    HE1  HIS  80           HE1      HIS  80   7.610  -8.241   4.463
    8    HE2  HIS  80           HE2      HIS  80   5.813  -8.992   2.831

  No H/Q in entry =           8
  In of MODEL   49
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   49
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   49
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   49
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   49
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   49
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   49
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   49
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   49
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   49
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   49
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   49
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   49
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   49
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   49
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.107  -6.382 -21.729
    4    HB3  GLU   5           HB3      GLU   5   0.417  -5.151 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.484  -4.496 -21.813
    6    HG3  GLU   5           HG3      GLU   5   2.168  -5.660 -20.530

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   49
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   49
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   49
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.884   0.432 -21.000
    4    HB3  MET   9           HB3      MET   9   4.424   1.171 -20.553
    5    HG2  MET   9           HG2      MET   9   5.230  -0.948 -19.660
    6    HG3  MET   9           HG3      MET   9   3.665  -1.703 -19.956
    7    HE2  MET   9           HE1      MET   9   6.929  -0.432 -22.813
    8    HE1  MET   9           HE2      MET   9   6.557   0.149 -21.192
    9    HE3  MET   9           HE3      MET   9   5.697   0.815 -22.578

  No H/Q in entry =           9
  In of MODEL   49
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   49
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.478   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.669   0.275 -14.903
    5   HG13  ILE  12          HG13      ILE  12   4.217  -0.542 -14.947
    6   HG21  ILE  12          HG21      ILE  12   5.631   1.623 -13.089
    7   HG23  ILE  12          HG22      ILE  12   6.265   2.526 -14.465
    8   HG22  ILE  12          HG23      ILE  12   6.298   0.764 -14.477
    9   HD13  ILE  12          HD11      ILE  12   3.272  -1.007 -12.810
   10   HD12  ILE  12          HD12      ILE  12   2.793   0.665 -12.579
   11   HD11  ILE  12          HD13      ILE  12   4.494   0.223 -12.534

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.811 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.824   3.927 -17.795
    5   HG13  ILE  13          HG13      ILE  13   5.629   4.712 -19.360
    6   HG23  ILE  13          HG21      ILE  13   4.745   8.044 -17.875
    7   HG22  ILE  13          HG22      ILE  13   5.844   7.352 -19.067
    8   HG21  ILE  13          HG23      ILE  13   6.377   7.573 -17.401
    9   HD11  ILE  13          HD11      ILE  13   7.573   5.927 -17.441
   10   HD13  ILE  13          HD12      ILE  13   7.638   5.836 -19.200
   11   HD12  ILE  13          HD13      ILE  13   8.033   4.419 -18.229

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   49
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   49
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   49
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   49
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   49
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   49
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   49
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   49
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   49
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   49
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   49
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   49
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   49
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   49
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   49
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   49
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   49
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   49
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   49
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   49
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.089  -8.783
    4    HB3  HIS  52           HB3      HIS  52  -7.583   7.661  -9.491
    5    HD1  HIS  52           HD1      HIS  52  -9.655   5.892  -9.276
    6    HD2  HIS  52           HD2      HIS  52  -6.442   5.316  -6.685
    7    HE1  HIS  52           HE1      HIS  52 -10.493   4.389  -7.425
    8    HE2  HIS  52           HE2      HIS  52  -8.548   4.031  -5.828

  No H/Q in entry =           8
  In of MODEL   49
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   49
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   49
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   49
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.924   3.573 -12.102
    4    HG1  THR  56           HG1      THR  56 -10.313   3.359  -9.853
    5   HG21  THR  56          HG21      THR  56 -13.048   1.638 -10.253
    6   HG23  THR  56          HG22      THR  56 -13.856   2.951 -11.109
    7   HG22  THR  56          HG23      THR  56 -13.095   3.254  -9.549

  No H/Q in entry =           7
  In of MODEL   49
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   49
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.670  -1.965 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.926  -4.279  -8.945
    5   HG13  ILE  59          HG13      ILE  59  -9.386  -4.464  -9.768
    6   HG23  ILE  59          HG21      ILE  59 -11.934  -1.122 -10.313
    7   HG22  ILE  59          HG22      ILE  59 -11.497  -1.682  -8.720
    8   HG21  ILE  59          HG23      ILE  59 -12.549  -2.658  -9.731
    9   HD11  ILE  59          HD11      ILE  59  -8.669  -2.328  -8.495
   10   HD13  ILE  59          HD12      ILE  59  -8.764  -3.836  -7.587
   11   HD12  ILE  59          HD13      ILE  59 -10.064  -2.652  -7.465

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   49
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   49
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   49
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   49
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   49
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   49
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   49
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   49
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   49
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LEU  74           H        LEU  74  -3.310  -7.013 -13.424
    2    HA   LEU  74           HA       LEU  74  -3.951  -4.381 -12.841
    3    HB2  LEU  74           HB2      LEU  74  -5.589  -6.171 -12.873
    4    HB3  LEU  74           HB3      LEU  74  -4.800  -6.973 -11.521
    5    HG   LEU  74           HG       LEU  74  -5.334  -5.015 -10.087
    6   HD13  LEU  74          HD11      LEU  74  -5.501  -3.185 -11.554
    7   HD12  LEU  74          HD12      LEU  74  -7.183  -3.500 -11.131
    8   HD11  LEU  74          HD13      LEU  74  -6.543  -4.055 -12.678
    9   HD22  LEU  74          HD21      LEU  74  -7.518  -5.764  -9.659
   10   HD21  LEU  74          HD22      LEU  74  -6.898  -7.092 -10.625
   11   HD23  LEU  74          HD23      LEU  74  -7.916  -5.867 -11.373

  No H/Q in entry =          11
  In of MODEL   49
    1    H    VAL  75           H        VAL  75  -2.296  -6.753 -10.894
    2    HA   VAL  75           HA       VAL  75  -2.173  -5.211  -8.498
    3    HB   VAL  75           HB       VAL  75  -0.387  -7.470  -9.441
    4   HG12  VAL  75          HG11      VAL  75  -0.230  -7.620  -6.790
    5   HG11  VAL  75          HG12      VAL  75  -0.579  -5.895  -6.901
    6   HG13  VAL  75          HG13      VAL  75   0.844  -6.560  -7.702
    7   HG22  VAL  75          HG21      VAL  75  -1.837  -8.920  -8.151
    8   HG21  VAL  75          HG22      VAL  75  -2.876  -7.961  -9.206
    9   HG23  VAL  75          HG23      VAL  75  -2.720  -7.538  -7.503

  No H/Q in entry =           9
  In of MODEL   49
    1    H    HIS  76           H        HIS  76   0.136  -5.643 -11.306
    2    HA   HIS  76           HA       HIS  76   2.296  -4.174 -10.318
    3    HB2  HIS  76           HB2      HIS  76   2.240  -5.488 -12.473
    4    HB3  HIS  76           HB3      HIS  76   1.369  -4.134 -13.195
    5    HD1  HIS  76           HD1      HIS  76   4.042  -3.518 -10.643
    6    HD2  HIS  76           HD2      HIS  76   3.615  -3.360 -14.786
    7    HE1  HIS  76           HE1      HIS  76   6.085  -2.312 -11.527

  No H/Q in entry =           7
  In of MODEL   49
    1    H    ALA  77           H        ALA  77  -0.578  -3.055 -12.092
    2    HA   ALA  77           HA       ALA  77   0.189  -0.303 -12.072
    3    HB2  ALA  77           HB1      ALA  77  -2.340  -1.812 -12.642
    4    HB1  ALA  77           HB2      ALA  77  -1.397  -0.770 -13.706
    5    HB3  ALA  77           HB3      ALA  77  -2.408  -0.060 -12.449

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLN  78           H        GLN  78  -1.826  -2.322  -9.969
    2    HA   GLN  78           HA       GLN  78  -2.779  -0.231  -8.313
    3    HB2  GLN  78           HB2      GLN  78  -3.618  -2.655  -8.497
    4    HB3  GLN  78           HB3      GLN  78  -2.298  -3.068  -7.403
    5    HG2  GLN  78           HG2      GLN  78  -3.158  -1.395  -5.782
    6    HG3  GLN  78           HG3      GLN  78  -4.518  -1.082  -6.858
    7   HE21  GLN  78          HE21      GLN  78  -3.645  -4.350  -7.088
    8   HE22  GLN  78          HE22      GLN  78  -4.784  -4.983  -6.000

  No H/Q in entry =           8
  In of MODEL   49
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   49
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.314   0.893 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.969   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.426   2.773 -10.610
    6    HD2  HIS  80           HD2      HIS  80   4.372  -1.188  -9.855
    7    HE1  HIS  80           HE1      HIS  80   7.554   1.406 -10.840
    8    HE2  HIS  80           HE2      HIS  80   6.923  -1.013 -10.383

  No H/Q in entry =           8
  In of MODEL   49
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   49
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   49
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   49
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   49
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   49
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   49
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   49
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   49
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   49
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   49
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   49
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   49
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   49
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   49
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   49
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   49
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   49
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   49
    1    H    PHE   9           H        PHE   9 -21.282   0.635  -3.908
    2    HA   PHE   9           HA       PHE   9 -18.521   1.521  -4.541
    3    HB2  PHE   9           HB2      PHE   9 -20.336   2.442  -2.304
    4    HB3  PHE   9           HB3      PHE   9 -18.627   2.853  -2.439
    5    HD1  PHE   9           HD1      PHE   9 -21.984   3.495  -3.679
    6    HD2  PHE   9           HD2      PHE   9 -17.807   4.183  -4.395
    7    HE1  PHE   9           HE1      PHE   9 -22.556   5.344  -5.228
    8    HE2  PHE   9           HE2      PHE   9 -18.378   6.032  -5.948
    9    HZ   PHE   9           HZ       PHE   9 -20.753   6.612  -6.364

  No H/Q in entry =           9
  In of MODEL   49
    1    H    CYS  10           H        CYS  10 -16.918   0.906  -3.226
    2    HA   CYS  10           HA       CYS  10 -17.185  -0.757  -0.890
    3    HB2  CYS  10           HB2      CYS  10 -16.124  -2.721  -1.670
    4    HB3  CYS  10           HB3      CYS  10 -17.274  -2.328  -2.951

  No H/Q in entry =           4
  In of MODEL   49
    1    H    SER  11           H        SER  11 -14.473  -1.455  -0.362
    2    HA   SER  11           HA       SER  11 -13.459   1.134   0.033
    3    HB2  SER  11           HB2      SER  11 -12.557  -0.479   1.475
    4    HB3  SER  11           HB3      SER  11 -12.168  -1.576   0.167
    5    HG   SER  11           HG       SER  11 -10.504  -0.263  -0.440

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA  12           H        ALA  12 -12.205  -1.350  -2.333
    2    HA   ALA  12           HA       ALA  12 -10.831   0.899  -3.642
    3    HB2  ALA  12           HB1      ALA  12  -9.986  -1.527  -4.784
    4    HB1  ALA  12           HB2      ALA  12 -10.109  -1.837  -3.053
    5    HB3  ALA  12           HB3      ALA  12  -9.094  -0.522  -3.643

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLY  13           H        GLY  13 -12.962  -1.868  -4.274
    2    HA3  GLY  13           HA2      GLY  13 -14.790  -1.473  -5.874
    3    HA2  GLY  13           HA3      GLY  13 -13.604  -0.670  -6.896

  No H/Q in entry =           3
  In of MODEL   49
    1    H    MET  14           H        MET  14 -12.743  -3.643  -5.208
    2    HA   MET  14           HA       MET  14 -12.607  -4.939  -7.856
    3    HB2  MET  14           HB2      MET  14 -10.486  -4.661  -6.555
    4    HB3  MET  14           HB3      MET  14 -11.151  -5.751  -5.338
    5    HG2  MET  14           HG2      MET  14 -11.413  -7.508  -7.053
    6    HG3  MET  14           HG3      MET  14 -10.747  -6.421  -8.270
    7    HE3  MET  14           HE1      MET  14  -9.224  -9.215  -8.012
    8    HE2  MET  14           HE2      MET  14  -7.662  -8.438  -8.246
    9    HE1  MET  14           HE3      MET  14  -9.085  -7.802  -9.064

  No H/Q in entry =           9
  In of MODEL   49
    1    H    SER  15           H        SER  15 -12.861  -6.252  -4.559
    2    HA   SER  15           HA       SER  15 -14.070  -8.620  -5.184
    3    HB2  SER  15           HB2      SER  15 -15.123  -7.113  -2.825
    4    HB3  SER  15           HB3      SER  15 -14.708  -8.821  -2.970
    5    HG   SER  15           HG       SER  15 -12.495  -8.048  -3.282

  No H/Q in entry =           5
  In of MODEL   49
    1    H    THR  16           H        THR  16 -15.521  -5.459  -5.460
    2    HA   THR  16           HA       THR  16 -18.200  -6.682  -5.635
    3    HB   THR  16           HB       THR  16 -17.456  -3.763  -5.946
    4    HG1  THR  16           HG1      THR  16 -16.869  -4.582  -3.895
    5   HG23  THR  16          HG21      THR  16 -19.621  -4.059  -6.803
    6   HG22  THR  16          HG22      THR  16 -19.920  -3.627  -5.119
    7   HG21  THR  16          HG23      THR  16 -20.017  -5.313  -5.627

  No H/Q in entry =           7
  In of MODEL   49
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   49
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   49
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   49
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   49
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   49
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   49
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   49
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   49
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   49
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   49
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   49
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   49
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   49
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   49
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   49
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   49
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   49
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   49
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   49
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   49
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   49
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   49
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   49
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   49
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   49
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   49
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   49
    1    HA   PRO  58           HA       PRO  58 -23.310  -4.451   3.148
    2    HB2  PRO  58           HB2      PRO  58 -21.603  -6.873   3.254
    3    HB3  PRO  58           HB3      PRO  58 -23.364  -6.721   3.385
    4    HG2  PRO  58           HG2      PRO  58 -22.177  -7.715   1.201
    5    HG3  PRO  58           HG3      PRO  58 -23.676  -6.775   1.122
    6    HD2  PRO  58           HD2      PRO  58 -20.883  -5.929   0.416
    7    HD3  PRO  58           HD3      PRO  58 -22.437  -5.472  -0.321

  No H/Q in entry =           7
  In of MODEL   49
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   49
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   49
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   49
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   49
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   49
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   49
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   49
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   49
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   49
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   49
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   49
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   49
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   49
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   49
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   49
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   49
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   49
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   49
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   49
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   49
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   49
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   49
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   49
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   49
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   49
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   49
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   49
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   49
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   49
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   49
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   49
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   49
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   49
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   49
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   49
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   49
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   49
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   50
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   50
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.310 -14.320  -2.699
    4    HB3  GLU   5           HB3      GLU   5 -14.715 -13.878  -1.727
    5    HG2  GLU   5           HG2      GLU   5 -14.796 -12.521  -3.706
    6    HG3  GLU   5           HG3      GLU   5 -14.286 -11.468  -2.387

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   50
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   50
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   50
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.710  -8.426   1.550
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.705   1.335
    5    HG2  MET   9           HG2      MET   9 -14.288  -6.804  -0.975
    6    HG3  MET   9           HG3      MET   9 -13.793  -8.485  -0.782
    7    HE1  MET   9           HE1      MET   9 -16.327  -5.918  -0.470
    8    HE3  MET   9           HE2      MET   9 -17.426  -6.829   0.561
    9    HE2  MET   9           HE3      MET   9 -17.834  -6.563  -1.127

  No H/Q in entry =           9
  In of MODEL   50
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   50
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.382   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.241  -6.172   0.973
    5   HG13  ILE  12          HG13      ILE  12  -9.705  -5.431  -0.546
    6   HG23  ILE  12          HG21      ILE  12 -10.265  -2.969  -0.588
    7   HG22  ILE  12          HG22      ILE  12  -8.739  -2.604   0.218
    8   HG21  ILE  12          HG23      ILE  12 -10.269  -2.063   0.918
    9   HD11  ILE  12          HD11      ILE  12  -7.626  -3.977  -0.302
   10   HD13  ILE  12          HD12      ILE  12  -7.333  -5.684  -0.579
   11   HD12  ILE  12          HD13      ILE  12  -7.181  -5.018   1.041

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.236
    4   HG12  ILE  13          HG12      ILE  13 -13.492  -3.070   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.922  -3.526   3.578
    6   HG22  ILE  13          HG21      ILE  13 -15.160  -1.859   5.680
    7   HG21  ILE  13          HG22      ILE  13 -13.885  -0.661   5.451
    8   HG23  ILE  13          HG23      ILE  13 -13.749  -1.858   6.739
    9   HD12  ILE  13          HD11      ILE  13 -14.943  -1.380   2.012
   10   HD11  ILE  13          HD12      ILE  13 -14.208  -0.624   3.420
   11   HD13  ILE  13          HD13      ILE  13 -15.795  -1.376   3.555

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   50
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   50
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   50
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   50
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   50
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   50
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   50
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   50
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   50
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   50
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   50
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   50
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   50
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   50
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   50
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   50
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   50
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   50
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   50
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   50
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.947  -6.668  10.567
    4    HB3  HIS  52           HB3      HIS  52  -1.109  -7.752  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.189 -10.115  11.708
    6    HD2  HIS  52           HD2      HIS  52   1.322  -7.135   9.024
    7    HE1  HIS  52           HE1      HIS  52   2.416 -10.834  10.740
    8    HE2  HIS  52           HE2      HIS  52   3.122  -9.026   9.102

  No H/Q in entry =           8
  In of MODEL   50
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   50
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   50
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   50
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.221  10.983
    4    HG1  THR  56           HG1      THR  56   0.335 -12.197   9.735
    5   HG23  THR  56          HG21      THR  56   0.903 -15.174  11.669
    6   HG22  THR  56          HG22      THR  56   1.850 -14.273  10.488
    7   HG21  THR  56          HG23      THR  56   0.931 -15.690   9.984

  No H/Q in entry =           7
  In of MODEL   50
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   50
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.633   4.908
    4   HG12  ILE  59          HG12      ILE  59   2.381 -16.262   3.441
    5   HG13  ILE  59          HG13      ILE  59   1.143 -15.328   2.615
    6   HG21  ILE  59          HG21      ILE  59   1.112 -16.002   6.804
    7   HG23  ILE  59          HG22      ILE  59   2.393 -15.067   6.080
    8   HG22  ILE  59          HG23      ILE  59   2.271 -16.786   5.746
    9   HD12  ILE  59          HD11      ILE  59   3.354 -14.318   4.396
   10   HD11  ILE  59          HD12      ILE  59   1.936 -13.334   4.034
   11   HD13  ILE  59          HD13      ILE  59   2.999 -13.861   2.730

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   50
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   50
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   50
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   50
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   50
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   50
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   50
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   50
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LEU  74           H        LEU  74  -4.288 -13.680  -2.348
    2    HA   LEU  74           HA       LEU  74  -3.883 -12.583   0.163
    3    HB2  LEU  74           HB2      LEU  74  -2.967 -14.718  -0.506
    4    HB3  LEU  74           HB3      LEU  74  -1.971 -13.952  -1.738
    5    HG   LEU  74           HG       LEU  74  -0.725 -12.758   0.032
    6   HD12  LEU  74          HD11      LEU  74  -1.126 -13.742   2.404
    7   HD11  LEU  74          HD12      LEU  74  -2.699 -14.230   1.776
    8   HD13  LEU  74          HD13      LEU  74  -2.256 -12.523   1.817
    9   HD22  LEU  74          HD21      LEU  74   0.647 -14.600   0.514
   10   HD21  LEU  74          HD22      LEU  74  -0.304 -15.240  -0.814
   11   HD23  LEU  74          HD23      LEU  74  -0.728 -15.651   0.843

  No H/Q in entry =          11
  In of MODEL   50
    1    H    VAL  75           H        VAL  75  -2.647 -11.579  -2.927
    2    HA   VAL  75           HA       VAL  75  -0.705  -9.743  -1.887
    3    HB   VAL  75           HB       VAL  75  -1.998  -9.883  -4.629
    4   HG11  VAL  75          HG11      VAL  75   0.119  -8.173  -3.425
    5   HG13  VAL  75          HG12      VAL  75  -1.014  -7.812  -4.727
    6   HG12  VAL  75          HG13      VAL  75   0.422  -8.781  -5.051
    7   HG22  VAL  75          HG21      VAL  75  -0.228 -11.300  -5.291
    8   HG21  VAL  75          HG22      VAL  75  -0.632 -11.905  -3.685
    9   HG23  VAL  75          HG23      VAL  75   0.766 -10.855  -3.904

  No H/Q in entry =           9
  In of MODEL   50
    1    H    HIS  76           H        HIS  76  -4.300  -9.325  -3.261
    2    HA   HIS  76           HA       HIS  76  -4.641  -6.561  -3.146
    3    HB2  HIS  76           HB2      HIS  76  -6.362  -8.139  -4.038
    4    HB3  HIS  76           HB3      HIS  76  -6.739  -8.624  -2.391
    5    HD1  HIS  76           HD1      HIS  76  -6.008  -5.000  -2.766
    6    HD2  HIS  76           HD2      HIS  76  -9.412  -7.428  -2.937
    7    HE1  HIS  76           HE1      HIS  76  -8.018  -3.444  -2.632

  No H/Q in entry =           7
  In of MODEL   50
    1    H    ALA  77           H        ALA  77  -4.691  -8.945  -0.581
    2    HA   ALA  77           HA       ALA  77  -5.510  -7.040   1.453
    3    HB3  ALA  77           HB1      ALA  77  -6.235  -9.189   1.982
    4    HB2  ALA  77           HB2      ALA  77  -4.778  -9.044   2.964
    5    HB1  ALA  77           HB3      ALA  77  -4.731  -9.944   1.448

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLN  78           H        GLN  78  -2.495  -8.761   0.554
    2    HA   GLN  78           HA       GLN  78  -0.908  -7.705   2.629
    3    HB2  GLN  78           HB2      GLN  78  -0.383  -9.641   1.028
    4    HB3  GLN  78           HB3      GLN  78   0.118  -8.403  -0.123
    5    HG2  GLN  78           HG2      GLN  78   1.704  -7.516   1.568
    6    HG3  GLN  78           HG3      GLN  78   1.247  -8.822   2.658
    7   HE21  GLN  78          HE21      GLN  78   1.208  -9.787  -0.644
    8   HE22  GLN  78          HE22      GLN  78   2.709 -10.579  -0.658

  No H/Q in entry =           8
  In of MODEL   50
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   50
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.188
    4    HB3  HIS  80           HB3      HIS  80  -5.392  -2.792   2.196
    5    HD1  HIS  80           HD1      HIS  80  -6.743  -0.983   1.147
    6    HD2  HIS  80           HD2      HIS  80  -5.003  -3.463  -1.718
    7    HE1  HIS  80           HE1      HIS  80  -7.607  -0.193  -1.107
    8    HE2  HIS  80           HE2      HIS  80  -6.553  -1.700  -2.862

  No H/Q in entry =           8
  In of MODEL   50
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   50
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   50
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   50
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   50
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   50
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   50
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   50
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   50
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   50
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   50
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   50
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   50
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   50
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   50
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.467 -20.456  -4.433
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.873  -3.421
    5    HG2  GLU   5           HG2      GLU   5   9.900 -21.070  -2.036
    6    HG3  GLU   5           HG3      GLU   5  10.735 -19.599  -1.539

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   50
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   50
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   50
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.038 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.727 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.347 -16.605   2.254
    6    HG3  MET   9           HG3      MET   9  11.574 -17.023   0.556
    7    HE1  MET   9           HE1      MET   9  12.497 -17.484   4.038
    8    HE3  MET   9           HE2      MET   9  14.007 -18.339   3.732
    9    HE2  MET   9           HE3      MET   9  12.609 -19.222   4.342

  No H/Q in entry =           9
  In of MODEL   50
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   50
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.312
    4   HG12  ILE  12          HG12      ILE  12  10.851 -11.551  -0.016
    5   HG13  ILE  12          HG13      ILE  12   9.647 -12.264   1.038
    6   HG22  ILE  12          HG21      ILE  12   9.516 -11.478   3.429
    7   HG21  ILE  12          HG22      ILE  12   9.729  -9.766   3.062
    8   HG23  ILE  12          HG23      ILE  12  10.861 -10.586   4.135
    9   HD11  ILE  12          HD11      ILE  12   8.791  -9.882   1.393
   10   HD13  ILE  12          HD12      ILE  12   8.541 -10.568  -0.202
   11   HD12  ILE  12          HD13      ILE  12   9.849  -9.425   0.067

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.104 -11.634   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.813 -12.622   4.656
    5   HG13  ILE  13          HG13      ILE  13  15.290 -13.528   4.958
    6   HG22  ILE  13          HG21      ILE  13  17.018 -11.969   6.262
    7   HG21  ILE  13          HG22      ILE  13  16.130 -10.491   6.631
    8   HG23  ILE  13          HG23      ILE  13  17.406 -10.472   5.415
    9   HD12  ILE  13          HD11      ILE  13  13.521 -13.072   6.906
   10   HD11  ILE  13          HD12      ILE  13  14.418 -11.560   7.032
   11   HD13  ILE  13          HD13      ILE  13  15.254 -13.099   7.229

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   50
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   50
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   50
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   50
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   50
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   50
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   50
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   50
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   50
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   50
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   50
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   50
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   50
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   50
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   50
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   50
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   50
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   50
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   50
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   50
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.317  -1.676  -5.684
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.658
    5    HD1  HIS  52           HD1      HIS  52  17.374  -2.109  -9.314
    6    HD2  HIS  52           HD2      HIS  52  14.072  -0.852  -7.102
    7    HE1  HIS  52           HE1      HIS  52  15.697  -1.205 -10.982
    8    HE2  HIS  52           HE2      HIS  52  13.679  -0.432  -9.650

  No H/Q in entry =           8
  In of MODEL   50
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   50
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   50
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   50
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.066
    4    HG1  THR  56           HG1      THR  56  15.829  -3.872 -10.965
    5   HG23  THR  56          HG21      THR  56  17.767  -4.153 -13.980
    6   HG22  THR  56          HG22      THR  56  16.188  -3.474 -13.586
    7   HG21  THR  56          HG23      THR  56  16.305  -5.097 -14.261

  No H/Q in entry =           7
  In of MODEL   50
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   50
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.834  -7.163 -12.525
    4   HG12  ILE  59          HG12      ILE  59   9.895  -7.040 -14.844
    5   HG13  ILE  59          HG13      ILE  59   9.520  -7.843 -13.327
    6   HG21  ILE  59          HG21      ILE  59  13.409  -6.451 -14.298
    7   HG23  ILE  59          HG22      ILE  59  12.104  -5.313 -14.089
    8   HG22  ILE  59          HG23      ILE  59  12.094  -6.413 -15.458
    9   HD12  ILE  59          HD11      ILE  59  10.080  -4.920 -13.792
   10   HD11  ILE  59          HD12      ILE  59  10.193  -5.637 -12.185
   11   HD13  ILE  59          HD13      ILE  59   8.658  -5.656 -13.053

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   50
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   50
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   50
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   50
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   50
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   50
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   50
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   50
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LEU  74           H        LEU  74   7.015 -13.170  -8.613
    2    HA   LEU  74           HA       LEU  74   8.957 -11.246  -8.148
    3    HB2  LEU  74           HB2      LEU  74   8.294 -11.938 -10.370
    4    HB3  LEU  74           HB3      LEU  74   6.665 -11.321 -10.121
    5    HG   LEU  74           HG       LEU  74   7.577  -9.029  -9.934
    6   HD12  LEU  74          HD11      LEU  74  10.021  -8.829 -10.793
    7   HD11  LEU  74          HD12      LEU  74  10.170 -10.522 -10.328
    8   HD13  LEU  74          HD13      LEU  74   9.777  -9.305  -9.114
    9   HD22  LEU  74          HD21      LEU  74   7.719  -8.740 -12.258
   10   HD21  LEU  74          HD22      LEU  74   7.004 -10.340 -12.171
   11   HD23  LEU  74          HD23      LEU  74   8.730 -10.168 -12.464

  No H/Q in entry =          11
  In of MODEL   50
    1    H    VAL  75           H        VAL  75   5.487 -11.036  -7.823
    2    HA   VAL  75           HA       VAL  75   5.368  -8.236  -7.292
    3    HB   VAL  75           HB       VAL  75   3.450 -10.463  -6.539
    4   HG11  VAL  75          HG11      VAL  75   3.393  -7.499  -6.191
    5   HG13  VAL  75          HG12      VAL  75   2.697  -8.761  -5.176
    6   HG12  VAL  75          HG13      VAL  75   1.893  -8.291  -6.673
    7   HG22  VAL  75          HG21      VAL  75   2.313 -10.004  -8.568
    8   HG21  VAL  75          HG22      VAL  75   4.012  -9.957  -9.034
    9   HG23  VAL  75          HG23      VAL  75   3.129  -8.455  -8.774

  No H/Q in entry =           9
  In of MODEL   50
    1    H    HIS  76           H        HIS  76   5.581 -11.183  -5.121
    2    HA   HIS  76           HA       HIS  76   5.316  -9.929  -2.641
    3    HB2  HIS  76           HB2      HIS  76   5.483 -12.417  -3.062
    4    HB3  HIS  76           HB3      HIS  76   7.229 -12.200  -3.204
    5    HD1  HIS  76           HD1      HIS  76   5.343 -10.085  -0.776
    6    HD2  HIS  76           HD2      HIS  76   7.650 -13.557  -0.699
    7    HE1  HIS  76           HE1      HIS  76   5.858 -10.548   1.659

  No H/Q in entry =           7
  In of MODEL   50
    1    H    ALA  77           H        ALA  77   8.221 -10.423  -4.624
    2    HA   ALA  77           HA       ALA  77   9.987  -9.121  -2.787
    3    HB1  ALA  77           HB1      ALA  77  11.121 -10.514  -4.260
    4    HB3  ALA  77           HB2      ALA  77  11.404  -8.935  -4.990
    5    HB2  ALA  77           HB3      ALA  77  10.165 -10.001  -5.651

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLN  78           H        GLN  78   8.189  -8.072  -5.664
    2    HA   GLN  78           HA       GLN  78   9.278  -5.465  -5.806
    3    HB2  GLN  78           HB2      GLN  78   7.880  -6.740  -7.553
    4    HB3  GLN  78           HB3      GLN  78   6.473  -6.201  -6.637
    5    HG2  GLN  78           HG2      GLN  78   7.236  -3.855  -6.893
    6    HG3  GLN  78           HG3      GLN  78   8.587  -4.418  -7.875
    7   HE21  GLN  78          HE21      GLN  78   5.768  -6.322  -8.336
    8   HE22  GLN  78          HE22      GLN  78   5.249  -5.602  -9.784

  No H/Q in entry =           8
  In of MODEL   50
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   50
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.180  -7.446  -0.519
    4    HB3  HIS  80           HB3      HIS  80  10.033  -6.563   0.748
    5    HD1  HIS  80           HD1      HIS  80   9.388  -7.102   3.090
    6    HD2  HIS  80           HD2      HIS  80   6.431  -8.241   0.380
    7    HE1  HIS  80           HE1      HIS  80   7.596  -8.295   4.439
    8    HE2  HIS  80           HE2      HIS  80   5.787  -8.993   2.796

  No H/Q in entry =           8
  In of MODEL   50
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   50
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   50
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   50
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   50
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   50
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   50
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   50
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   50
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   50
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   50
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   50
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   50
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   50
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   50
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.068  -6.371 -21.774
    4    HB3  GLU   5           HB3      GLU   5   0.469  -5.120 -22.950
    5    HG2  GLU   5           HG2      GLU   5   2.547  -6.102 -22.260
    6    HG3  GLU   5           HG3      GLU   5   2.452  -4.523 -21.485

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   50
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   50
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   50
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.437 -21.000
    4    HB3  MET   9           HB3      MET   9   4.428   1.168 -20.551
    5    HG2  MET   9           HG2      MET   9   5.223  -0.956 -19.661
    6    HG3  MET   9           HG3      MET   9   3.654  -1.704 -19.960
    7    HE1  MET   9           HE1      MET   9   6.488   0.206 -21.181
    8    HE3  MET   9           HE2      MET   9   5.721   0.777 -22.660
    9    HE2  MET   9           HE3      MET   9   6.963  -0.469 -22.745

  No H/Q in entry =           9
  In of MODEL   50
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   50
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.476   1.687 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.661   0.284 -14.875
    5   HG13  ILE  12          HG13      ILE  12   4.203  -0.540 -14.966
    6   HG22  ILE  12          HG21      ILE  12   6.297   0.761 -14.472
    7   HG21  ILE  12          HG22      ILE  12   5.640   1.643 -13.092
    8   HG23  ILE  12          HG23      ILE  12   6.265   2.523 -14.485
    9   HD11  ILE  12          HD11      ILE  12   4.539   0.167 -12.537
   10   HD13  ILE  12          HD12      ILE  12   3.291  -1.032 -12.828
   11   HD12  ILE  12          HD13      ILE  12   2.850   0.648 -12.558

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.814 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.824   3.927 -17.791
    5   HG13  ILE  13          HG13      ILE  13   5.621   4.705 -19.358
    6   HG22  ILE  13          HG21      ILE  13   5.866   7.345 -19.061
    7   HG21  ILE  13          HG22      ILE  13   6.367   7.577 -17.387
    8   HG23  ILE  13          HG23      ILE  13   4.744   8.043 -17.893
    9   HD12  ILE  13          HD11      ILE  13   8.036   4.422 -18.253
   10   HD11  ILE  13          HD12      ILE  13   7.571   5.917 -17.443
   11   HD13  ILE  13          HD13      ILE  13   7.626   5.848 -19.203

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   50
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   50
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   50
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   50
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   50
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   50
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   50
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   50
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   50
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   50
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   50
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   50
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   50
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   50
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   50
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   50
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   50
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   50
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   50
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   50
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.040  -8.753
    4    HB3  HIS  52           HB3      HIS  52  -7.534   7.690  -9.497
    5    HD1  HIS  52           HD1      HIS  52  -9.717   6.103  -9.305
    6    HD2  HIS  52           HD2      HIS  52  -6.561   5.179  -6.745
    7    HE1  HIS  52           HE1      HIS  52 -10.671   4.600  -7.511
    8    HE2  HIS  52           HE2      HIS  52  -8.762   4.031  -5.934

  No H/Q in entry =           8
  In of MODEL   50
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   50
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   50
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   50
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.900   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.347   3.331  -9.813
    5   HG23  THR  56          HG21      THR  56 -13.821   3.358 -10.849
    6   HG22  THR  56          HG22      THR  56 -12.940   2.783  -9.434
    7   HG21  THR  56          HG23      THR  56 -13.299   1.676 -10.757

  No H/Q in entry =           7
  In of MODEL   50
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   50
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.661  -1.975 -10.403
    4   HG12  ILE  59          HG12      ILE  59 -10.942  -4.333  -9.017
    5   HG13  ILE  59          HG13      ILE  59  -9.338  -4.421  -9.728
    6   HG23  ILE  59          HG21      ILE  59 -11.896  -1.088 -10.307
    7   HG22  ILE  59          HG22      ILE  59 -11.504  -1.691  -8.719
    8   HG21  ILE  59          HG23      ILE  59 -12.559  -2.621  -9.771
    9   HD12  ILE  59          HD11      ILE  59 -10.275  -2.758  -7.413
   10   HD11  ILE  59          HD12      ILE  59  -8.879  -2.246  -8.358
   11   HD13  ILE  59          HD13      ILE  59  -8.856  -3.800  -7.526

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   50
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   50
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   50
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   50
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   50
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   50
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   50
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   50
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   50
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LEU  74           H        LEU  74  -3.310  -7.009 -13.421
    2    HA   LEU  74           HA       LEU  74  -3.950  -4.380 -12.833
    3    HB2  LEU  74           HB2      LEU  74  -5.590  -6.165 -12.852
    4    HB3  LEU  74           HB3      LEU  74  -4.787  -6.974 -11.512
    5    HG   LEU  74           HG       LEU  74  -5.316  -5.049 -10.052
    6   HD12  LEU  74          HD11      LEU  74  -7.115  -3.468 -11.053
    7   HD11  LEU  74          HD12      LEU  74  -6.522  -4.019 -12.619
    8   HD13  LEU  74          HD13      LEU  74  -5.435  -3.190 -11.507
    9   HD22  LEU  74          HD21      LEU  74  -7.513  -5.769  -9.647
   10   HD21  LEU  74          HD22      LEU  74  -6.916  -7.085 -10.643
   11   HD23  LEU  74          HD23      LEU  74  -7.908  -5.823 -11.364

  No H/Q in entry =          11
  In of MODEL   50
    1    H    VAL  75           H        VAL  75  -2.277  -6.746 -10.890
    2    HA   VAL  75           HA       VAL  75  -2.144  -5.195  -8.501
    3    HB   VAL  75           HB       VAL  75  -0.369  -7.458  -9.455
    4   HG11  VAL  75          HG11      VAL  75  -0.479  -5.835  -6.949
    5   HG13  VAL  75          HG12      VAL  75   0.910  -6.570  -7.749
    6   HG12  VAL  75          HG13      VAL  75  -0.183  -7.566  -6.790
    7   HG22  VAL  75          HG21      VAL  75  -1.820  -8.923  -8.289
    8   HG21  VAL  75          HG22      VAL  75  -2.933  -7.806  -9.079
    9   HG23  VAL  75          HG23      VAL  75  -2.548  -7.606  -7.371

  No H/Q in entry =           9
  In of MODEL   50
    1    H    HIS  76           H        HIS  76   0.148  -5.626 -11.324
    2    HA   HIS  76           HA       HIS  76   2.310  -4.149 -10.359
    3    HB2  HIS  76           HB2      HIS  76   2.211  -5.464 -12.523
    4    HB3  HIS  76           HB3      HIS  76   1.365  -4.086 -13.227
    5    HD1  HIS  76           HD1      HIS  76   4.041  -3.513 -10.677
    6    HD2  HIS  76           HD2      HIS  76   3.640  -3.378 -14.823
    7    HE1  HIS  76           HE1      HIS  76   6.110  -2.349 -11.559

  No H/Q in entry =           7
  In of MODEL   50
    1    H    ALA  77           H        ALA  77  -0.586  -3.041 -12.091
    2    HA   ALA  77           HA       ALA  77   0.168  -0.282 -12.077
    3    HB1  ALA  77           HB1      ALA  77  -1.425  -0.757 -13.702
    4    HB3  ALA  77           HB2      ALA  77  -2.426  -0.050 -12.434
    5    HB2  ALA  77           HB3      ALA  77  -2.363  -1.801 -12.632

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLN  78           H        GLN  78  -1.839  -2.314  -9.971
    2    HA   GLN  78           HA       GLN  78  -2.783  -0.230  -8.302
    3    HB2  GLN  78           HB2      GLN  78  -3.610  -2.662  -8.493
    4    HB3  GLN  78           HB3      GLN  78  -2.292  -3.064  -7.392
    5    HG2  GLN  78           HG2      GLN  78  -3.168  -1.396  -5.778
    6    HG3  GLN  78           HG3      GLN  78  -4.522  -1.084  -6.861
    7   HE21  GLN  78          HE21      GLN  78  -3.517  -4.366  -6.952
    8   HE22  GLN  78          HE22      GLN  78  -4.715  -4.994  -5.928

  No H/Q in entry =           8
  In of MODEL   50
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   50
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.306   0.903 -10.476
    4    HB3  HIS  80           HB3      HIS  80   2.982   2.522 -10.289
    5    HD1  HIS  80           HD1      HIS  80   5.431   2.740 -10.652
    6    HD2  HIS  80           HD2      HIS  80   4.348  -1.198  -9.818
    7    HE1  HIS  80           HE1      HIS  80   7.545   1.349 -10.875
    8    HE2  HIS  80           HE2      HIS  80   6.896  -1.055 -10.370

  No H/Q in entry =           8
  In of MODEL   50
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   50
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   50
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   50
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   50
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   50
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   50
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   50
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   50
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   50
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   50
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   50
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   50
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   50
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   50
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   50
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   50
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   50
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   50
    1    H    PHE   9           H        PHE   9 -21.281   0.635  -3.910
    2    HA   PHE   9           HA       PHE   9 -18.522   1.529  -4.541
    3    HB2  PHE   9           HB2      PHE   9 -20.342   2.441  -2.305
    4    HB3  PHE   9           HB3      PHE   9 -18.634   2.857  -2.435
    5    HD1  PHE   9           HD1      PHE   9 -21.990   3.493  -3.682
    6    HD2  PHE   9           HD2      PHE   9 -17.813   4.191  -4.389
    7    HE1  PHE   9           HE1      PHE   9 -22.563   5.342  -5.230
    8    HE2  PHE   9           HE2      PHE   9 -18.386   6.041  -5.941
    9    HZ   PHE   9           HZ       PHE   9 -20.761   6.616  -6.361

  No H/Q in entry =           9
  In of MODEL   50
    1    H    CYS  10           H        CYS  10 -16.914   0.909  -3.230
    2    HA   CYS  10           HA       CYS  10 -17.183  -0.767  -0.901
    3    HB2  CYS  10           HB2      CYS  10 -16.121  -2.723  -1.693
    4    HB3  CYS  10           HB3      CYS  10 -17.263  -2.320  -2.979

  No H/Q in entry =           4
  In of MODEL   50
    1    H    SER  11           H        SER  11 -14.468  -1.458  -0.371
    2    HA   SER  11           HA       SER  11 -13.467   1.139   0.019
    3    HB2  SER  11           HB2      SER  11 -12.566  -0.461   1.475
    4    HB3  SER  11           HB3      SER  11 -12.171  -1.567   0.176
    5    HG   SER  11           HG       SER  11 -11.020   0.948   0.049

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA  12           H        ALA  12 -12.197  -1.353  -2.335
    2    HA   ALA  12           HA       ALA  12 -10.813   0.894  -3.639
    3    HB3  ALA  12           HB1      ALA  12  -9.072  -0.517  -3.601
    4    HB2  ALA  12           HB2      ALA  12  -9.935  -1.535  -4.753
    5    HB1  ALA  12           HB3      ALA  12 -10.089  -1.837  -3.023

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLY  13           H        GLY  13 -12.912  -1.880  -4.275
    2    HA3  GLY  13           HA2      GLY  13 -14.733  -1.502  -5.886
    3    HA2  GLY  13           HA3      GLY  13 -13.542  -0.714  -6.914

  No H/Q in entry =           3
  In of MODEL   50
    1    H    MET  14           H        MET  14 -12.687  -3.684  -5.188
    2    HA   MET  14           HA       MET  14 -12.541  -4.992  -7.827
    3    HB2  MET  14           HB2      MET  14 -10.458  -4.730  -6.402
    4    HB3  MET  14           HB3      MET  14 -11.172  -5.912  -5.304
    5    HG2  MET  14           HG2      MET  14 -11.515  -7.295  -7.538
    6    HG3  MET  14           HG3      MET  14 -10.191  -6.283  -8.112
    7    HE2  MET  14           HE1      MET  14  -7.156  -7.182  -6.236
    8    HE1  MET  14           HE2      MET  14  -8.113  -5.840  -6.858
    9    HE3  MET  14           HE3      MET  14  -7.747  -7.211  -7.902

  No H/Q in entry =           9
  In of MODEL   50
    1    H    SER  15           H        SER  15 -12.852  -6.315  -4.552
    2    HA   SER  15           HA       SER  15 -14.099  -8.656  -5.191
    3    HB2  SER  15           HB2      SER  15 -15.129  -7.143  -2.824
    4    HB3  SER  15           HB3      SER  15 -14.752  -8.859  -2.980
    5    HG   SER  15           HG       SER  15 -12.790  -6.839  -3.246

  No H/Q in entry =           5
  In of MODEL   50
    1    H    THR  16           H        THR  16 -15.526  -5.464  -5.453
    2    HA   THR  16           HA       THR  16 -18.207  -6.681  -5.638
    3    HB   THR  16           HB       THR  16 -17.457  -3.763  -5.950
    4    HG1  THR  16           HG1      THR  16 -16.944  -4.117  -3.908
    5   HG21  THR  16          HG21      THR  16 -20.019  -5.312  -5.639
    6   HG23  THR  16          HG22      THR  16 -19.622  -4.049  -6.805
    7   HG22  THR  16          HG23      THR  16 -19.924  -3.629  -5.119

  No H/Q in entry =           7
  In of MODEL   50
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   50
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   50
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   50
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   50
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   50
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   50
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   50
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   50
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   50
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   50
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   50
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   50
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   50
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   50
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   50
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   50
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   50
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   50
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   50
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   50
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   50
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   50
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   50
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   50
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   50
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   50
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   50
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.437   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.053  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.563  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.794  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.697   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.016  -5.616  -0.005
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.738  -0.010

  No H/Q in entry =           7
  In of MODEL   50
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   50
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   50
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   50
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   50
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   50
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   50
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   50
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   50
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   50
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   50
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   50
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   50
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   50
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   50
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   50
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   50
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   50
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   50
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   50
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   50
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   50
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   50
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   50
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   50
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   50
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   50
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   50
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   50
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   50
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   50
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   50
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   50
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   50
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   50
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   50
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   50
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   50
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   51
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   51
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.290 -14.287  -2.726
    4    HB3  GLU   5           HB3      GLU   5 -14.697 -13.923  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.554 -11.551  -2.357
    6    HG3  GLU   5           HG3      GLU   5 -13.127 -11.888  -3.337

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   51
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   51
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   51
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.704  -8.438   1.534
    4    HB3  MET   9           HB3      MET   9 -15.031  -6.714   1.354
    5    HG2  MET   9           HG2      MET   9 -14.203  -6.793  -0.965
    6    HG3  MET   9           HG3      MET   9 -13.869  -8.515  -0.790
    7    HE1  MET   9           HE1      MET   9 -16.194  -5.758  -0.314
    8    HE3  MET   9           HE2      MET   9 -17.835  -6.349  -0.552
    9    HE2  MET   9           HE3      MET   9 -16.821  -6.010  -1.946

  No H/Q in entry =           9
  In of MODEL   51
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   51
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.384   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.241  -6.171   0.969
    5   HG13  ILE  12          HG13      ILE  12  -9.700  -5.426  -0.550
    6   HG21  ILE  12          HG21      ILE  12 -10.292  -2.054   0.895
    7   HG23  ILE  12          HG22      ILE  12 -10.225  -2.978  -0.607
    8   HG22  ILE  12          HG23      ILE  12  -8.740  -2.597   0.274
    9   HD13  ILE  12          HD11      ILE  12  -7.311  -5.660  -0.574
   10   HD12  ILE  12          HD12      ILE  12  -7.174  -5.007   1.049
   11   HD11  ILE  12          HD13      ILE  12  -7.652  -3.962  -0.281

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.609   5.228
    4   HG12  ILE  13          HG12      ILE  13 -13.500  -3.059   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.930  -3.511   3.577
    6   HG22  ILE  13          HG21      ILE  13 -15.147  -1.915   5.748
    7   HG21  ILE  13          HG22      ILE  13 -13.944  -0.667   5.422
    8   HG23  ILE  13          HG23      ILE  13 -13.687  -1.818   6.734
    9   HD11  ILE  13          HD11      ILE  13 -14.213  -0.609   3.445
   10   HD13  ILE  13          HD12      ILE  13 -15.798  -1.364   3.551
   11   HD12  ILE  13          HD13      ILE  13 -14.929  -1.357   2.019

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   51
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   51
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   51
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   51
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   51
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   51
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   51
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   51
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   51
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   51
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   51
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   51
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   51
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   51
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   51
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   51
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   51
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   51
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   51
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   51
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.951  -6.666  10.573
    4    HB3  HIS  52           HB3      HIS  52  -1.105  -7.758  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.188 -10.127  11.673
    6    HD2  HIS  52           HD2      HIS  52   1.325  -7.105   9.037
    7    HE1  HIS  52           HE1      HIS  52   2.418 -10.830  10.697
    8    HE2  HIS  52           HE2      HIS  52   3.125  -8.996   9.088

  No H/Q in entry =           8
  In of MODEL   51
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   51
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   51
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   51
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.221  10.983
    4    HG1  THR  56           HG1      THR  56  -0.593 -12.034  10.138
    5   HG21  THR  56          HG21      THR  56   0.975 -15.667   9.957
    6   HG23  THR  56          HG22      THR  56   0.868 -15.210  11.656
    7   HG22  THR  56          HG23      THR  56   1.844 -14.250  10.545

  No H/Q in entry =           7
  In of MODEL   51
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   51
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.636   4.922
    4   HG12  ILE  59          HG12      ILE  59   2.374 -16.243   3.422
    5   HG13  ILE  59          HG13      ILE  59   1.122 -15.314   2.613
    6   HG23  ILE  59          HG21      ILE  59   2.382 -15.082   6.097
    7   HG22  ILE  59          HG22      ILE  59   2.303 -16.772   5.679
    8   HG21  ILE  59          HG23      ILE  59   1.132 -16.093   6.798
    9   HD13  ILE  59          HD11      ILE  59   2.966 -13.833   2.717
   10   HD12  ILE  59          HD12      ILE  59   3.341 -14.296   4.377
   11   HD11  ILE  59          HD13      ILE  59   1.913 -13.320   4.036

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   51
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   51
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   51
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   51
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   51
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   51
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   51
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   51
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LEU  74           H        LEU  74  -4.265 -13.669  -2.362
    2    HA   LEU  74           HA       LEU  74  -3.857 -12.542   0.148
    3    HB2  LEU  74           HB2      LEU  74  -2.969 -14.700  -0.481
    4    HB3  LEU  74           HB3      LEU  74  -1.974 -13.972  -1.737
    5    HG   LEU  74           HG       LEU  74  -0.702 -12.754  -0.001
    6   HD13  LEU  74          HD11      LEU  74  -2.194 -12.468   1.796
    7   HD12  LEU  74          HD12      LEU  74  -1.093 -13.708   2.394
    8   HD11  LEU  74          HD13      LEU  74  -2.685 -14.161   1.784
    9   HD23  LEU  74          HD21      LEU  74  -0.710 -15.638   0.866
   10   HD22  LEU  74          HD22      LEU  74   0.650 -14.593   0.495
   11   HD21  LEU  74          HD23      LEU  74  -0.324 -15.257  -0.811

  No H/Q in entry =          11
  In of MODEL   51
    1    H    VAL  75           H        VAL  75  -2.634 -11.600  -2.972
    2    HA   VAL  75           HA       VAL  75  -0.659  -9.771  -1.981
    3    HB   VAL  75           HB       VAL  75  -1.957  -9.674  -4.710
    4   HG13  VAL  75          HG11      VAL  75  -0.479  -7.876  -4.518
    5   HG12  VAL  75          HG12      VAL  75   0.557  -9.122  -5.213
    6   HG11  VAL  75          HG13      VAL  75   0.636  -8.772  -3.487
    7   HG21  VAL  75          HG21      VAL  75   0.263 -11.521  -3.751
    8   HG23  VAL  75          HG22      VAL  75  -0.231 -11.322  -5.432
    9   HG22  VAL  75          HG23      VAL  75  -1.351 -12.015  -4.261

  No H/Q in entry =           9
  In of MODEL   51
    1    H    HIS  76           H        HIS  76  -4.287  -9.366  -3.249
    2    HA   HIS  76           HA       HIS  76  -4.583  -6.579  -3.170
    3    HB2  HIS  76           HB2      HIS  76  -6.322  -8.122  -4.074
    4    HB3  HIS  76           HB3      HIS  76  -6.702  -8.627  -2.433
    5    HD1  HIS  76           HD1      HIS  76  -5.940  -5.004  -2.769
    6    HD2  HIS  76           HD2      HIS  76  -9.365  -7.402  -2.950
    7    HE1  HIS  76           HE1      HIS  76  -7.937  -3.433  -2.609

  No H/Q in entry =           7
  In of MODEL   51
    1    H    ALA  77           H        ALA  77  -4.690  -8.968  -0.624
    2    HA   ALA  77           HA       ALA  77  -5.520  -7.072   1.405
    3    HB2  ALA  77           HB1      ALA  77  -4.810  -9.073   2.923
    4    HB1  ALA  77           HB2      ALA  77  -4.712  -9.965   1.405
    5    HB3  ALA  77           HB3      ALA  77  -6.240  -9.240   1.902

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLN  78           H        GLN  78  -2.479  -8.757   0.528
    2    HA   GLN  78           HA       GLN  78  -0.941  -7.690   2.644
    3    HB2  GLN  78           HB2      GLN  78  -0.373  -9.642   1.084
    4    HB3  GLN  78           HB3      GLN  78   0.137  -8.421  -0.080
    5    HG2  GLN  78           HG2      GLN  78   1.731  -7.514   1.551
    6    HG3  GLN  78           HG3      GLN  78   1.213  -8.708   2.739
    7   HE21  GLN  78          HE21      GLN  78   2.665 -10.422   2.846
    8   HE22  GLN  78          HE22      GLN  78   3.524 -11.056   1.527

  No H/Q in entry =           8
  In of MODEL   51
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   51
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.202   1.173
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.805   2.202
    5    HD1  HIS  80           HD1      HIS  80  -6.688  -0.937   1.177
    6    HD2  HIS  80           HD2      HIS  80  -5.068  -3.464  -1.716
    7    HE1  HIS  80           HE1      HIS  80  -7.574  -0.127  -1.061
    8    HE2  HIS  80           HE2      HIS  80  -6.592  -1.662  -2.834

  No H/Q in entry =           8
  In of MODEL   51
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   51
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   51
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   51
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   51
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   51
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   51
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   51
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   51
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   51
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   51
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   51
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   51
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   51
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   51
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.422 -20.432  -4.408
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.476
    5    HG2  GLU   5           HG2      GLU   5  10.899 -19.839  -1.471
    6    HG3  GLU   5           HG3      GLU   5   9.481 -19.336  -2.392

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   51
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   51
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   51
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.022 -16.713   0.847
    4    HB3  MET   9           HB3      MET   9  13.747 -16.162   2.499
    5    HG2  MET   9           HG2      MET   9  11.329 -16.544   2.236
    6    HG3  MET   9           HG3      MET   9  11.590 -17.080   0.576
    7    HE1  MET   9           HE1      MET   9  12.548 -17.271   4.072
    8    HE3  MET   9           HE2      MET   9  13.153 -18.890   4.415
    9    HE2  MET   9           HE3      MET   9  11.416 -18.600   4.350

  No H/Q in entry =           9
  In of MODEL   51
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   51
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.953   2.308
    4   HG12  ILE  12          HG12      ILE  12  10.846 -11.579  -0.009
    5   HG13  ILE  12          HG13      ILE  12   9.619 -12.241   1.052
    6   HG23  ILE  12          HG21      ILE  12  10.863 -10.595   4.139
    7   HG22  ILE  12          HG22      ILE  12   9.507 -11.468   3.426
    8   HG21  ILE  12          HG23      ILE  12   9.745  -9.760   3.064
    9   HD13  ILE  12          HD11      ILE  12   8.563 -10.516  -0.216
   10   HD12  ILE  12          HD12      ILE  12   9.904  -9.414   0.040
   11   HD11  ILE  12          HD13      ILE  12   8.847  -9.838   1.380

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.098 -11.639   3.844
    4   HG12  ILE  13          HG12      ILE  13  13.817 -12.628   4.661
    5   HG13  ILE  13          HG13      ILE  13  15.296 -13.527   4.983
    6   HG22  ILE  13          HG21      ILE  13  17.088 -11.959   6.195
    7   HG21  ILE  13          HG22      ILE  13  16.125 -10.558   6.664
    8   HG23  ILE  13          HG23      ILE  13  17.366 -10.400   5.420
    9   HD11  ILE  13          HD11      ILE  13  14.416 -11.537   7.034
   10   HD13  ILE  13          HD12      ILE  13  15.235 -13.083   7.248
   11   HD12  ILE  13          HD13      ILE  13  13.506 -13.041   6.908

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   51
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   51
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   51
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   51
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   51
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   51
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   51
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   51
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   51
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   51
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   51
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   51
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   51
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   51
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   51
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   51
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   51
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   51
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   51
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   51
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.325  -1.676  -5.680
    4    HB3  HIS  52           HB3      HIS  52  17.784  -1.773  -6.666
    5    HD1  HIS  52           HD1      HIS  52  17.344  -2.127  -9.321
    6    HD2  HIS  52           HD2      HIS  52  14.076  -0.832  -7.079
    7    HE1  HIS  52           HE1      HIS  52  15.657  -1.217 -10.975
    8    HE2  HIS  52           HE2      HIS  52  13.659  -0.421  -9.624

  No H/Q in entry =           8
  In of MODEL   51
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   51
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   51
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   51
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.457 -12.070
    4    HG1  THR  56           HG1      THR  56  16.544  -4.324 -10.384
    5   HG21  THR  56          HG21      THR  56  16.257  -5.062 -14.261
    6   HG23  THR  56          HG22      THR  56  17.768  -4.196 -13.990
    7   HG22  THR  56          HG23      THR  56  16.233  -3.443 -13.566

  No H/Q in entry =           7
  In of MODEL   51
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   51
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.846  -7.159 -12.529
    4   HG12  ILE  59          HG12      ILE  59   9.879  -7.043 -14.823
    5   HG13  ILE  59          HG13      ILE  59   9.525  -7.853 -13.304
    6   HG23  ILE  59          HG21      ILE  59  12.130  -5.322 -14.096
    7   HG22  ILE  59          HG22      ILE  59  12.018  -6.410 -15.455
    8   HG21  ILE  59          HG23      ILE  59  13.410  -6.487 -14.387
    9   HD13  ILE  59          HD11      ILE  59   8.658  -5.670 -13.013
   10   HD12  ILE  59          HD12      ILE  59  10.068  -4.926 -13.766
   11   HD11  ILE  59          HD13      ILE  59  10.203  -5.647 -12.163

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   51
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   51
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   51
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   51
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   51
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   51
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   51
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   51
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LEU  74           H        LEU  74   6.979 -13.148  -8.612
    2    HA   LEU  74           HA       LEU  74   8.919 -11.208  -8.119
    3    HB2  LEU  74           HB2      LEU  74   8.311 -11.919 -10.351
    4    HB3  LEU  74           HB3      LEU  74   6.668 -11.327 -10.136
    5    HG   LEU  74           HG       LEU  74   7.544  -9.020  -9.937
    6   HD13  LEU  74          HD11      LEU  74   9.729  -9.243  -9.092
    7   HD12  LEU  74          HD12      LEU  74  10.004  -8.802 -10.776
    8   HD11  LEU  74          HD13      LEU  74  10.162 -10.483 -10.268
    9   HD23  LEU  74          HD21      LEU  74   8.745 -10.140 -12.462
   10   HD22  LEU  74          HD22      LEU  74   7.711  -8.739 -12.249
   11   HD21  LEU  74          HD23      LEU  74   7.021 -10.355 -12.174

  No H/Q in entry =          11
  In of MODEL   51
    1    H    VAL  75           H        VAL  75   5.432 -11.044  -7.867
    2    HA   VAL  75           HA       VAL  75   5.257  -8.248  -7.349
    3    HB   VAL  75           HB       VAL  75   3.318 -10.352  -6.368
    4   HG13  VAL  75          HG11      VAL  75   2.671  -8.240  -5.557
    5   HG12  VAL  75          HG12      VAL  75   1.731  -8.403  -7.040
    6   HG11  VAL  75          HG13      VAL  75   3.190  -7.414  -7.026
    7   HG21  VAL  75          HG21      VAL  75   3.550  -9.130  -9.144
    8   HG23  VAL  75          HG22      VAL  75   2.197 -10.114  -8.589
    9   HG22  VAL  75          HG23      VAL  75   3.804 -10.825  -8.728

  No H/Q in entry =           9
  In of MODEL   51
    1    H    HIS  76           H        HIS  76   5.497 -11.175  -5.154
    2    HA   HIS  76           HA       HIS  76   5.203  -9.870  -2.691
    3    HB2  HIS  76           HB2      HIS  76   5.306 -12.363  -3.045
    4    HB3  HIS  76           HB3      HIS  76   7.056 -12.202  -3.211
    5    HD1  HIS  76           HD1      HIS  76   5.026 -10.150  -0.784
    6    HD2  HIS  76           HD2      HIS  76   7.701 -13.348  -0.706
    7    HE1  HIS  76           HE1      HIS  76   5.616 -10.533   1.649

  No H/Q in entry =           7
  In of MODEL   51
    1    H    ALA  77           H        ALA  77   8.130 -10.458  -4.637
    2    HA   ALA  77           HA       ALA  77   9.903  -9.195  -2.792
    3    HB3  ALA  77           HB1      ALA  77  11.342  -9.027  -4.983
    4    HB2  ALA  77           HB2      ALA  77  10.079 -10.055  -5.659
    5    HB1  ALA  77           HB3      ALA  77  11.014 -10.608  -4.271

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLN  78           H        GLN  78   8.143  -8.081  -5.663
    2    HA   GLN  78           HA       GLN  78   9.307  -5.499  -5.773
    3    HB2  GLN  78           HB2      GLN  78   7.929  -6.716  -7.566
    4    HB3  GLN  78           HB3      GLN  78   6.507  -6.184  -6.670
    5    HG2  GLN  78           HG2      GLN  78   7.213  -3.849  -6.899
    6    HG3  GLN  78           HG3      GLN  78   8.667  -4.357  -7.755
    7   HE21  GLN  78          HE21      GLN  78   8.429  -4.090  -9.973
    8   HE22  GLN  78          HE22      GLN  78   6.982  -4.314 -10.832

  No H/Q in entry =           8
  In of MODEL   51
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   51
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.166  -7.453  -0.516
    4    HB3  HIS  80           HB3      HIS  80  10.039  -6.565   0.734
    5    HD1  HIS  80           HD1      HIS  80   9.395  -7.036   3.096
    6    HD2  HIS  80           HD2      HIS  80   6.453  -8.278   0.415
    7    HE1  HIS  80           HE1      HIS  80   7.621  -8.224   4.473
    8    HE2  HIS  80           HE2      HIS  80   5.822  -8.986   2.848

  No H/Q in entry =           8
  In of MODEL   51
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   51
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   51
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   51
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   51
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   51
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   51
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   51
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   51
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   51
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   51
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   51
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   51
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   51
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   51
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.119  -6.385 -21.717
    4    HB3  GLU   5           HB3      GLU   5   0.403  -5.160 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.475  -4.475 -21.837
    6    HG3  GLU   5           HG3      GLU   5   2.187  -5.640 -20.548

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   51
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   51
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   51
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.882   0.412 -20.997
    4    HB3  MET   9           HB3      MET   9   4.409   1.182 -20.561
    5    HG2  MET   9           HG2      MET   9   5.211  -0.939 -19.598
    6    HG3  MET   9           HG3      MET   9   3.682  -1.712 -20.015
    7    HE1  MET   9           HE1      MET   9   6.472   0.369 -21.030
    8    HE3  MET   9           HE2      MET   9   6.763   0.144 -22.753
    9    HE2  MET   9           HE3      MET   9   7.372  -1.043 -21.602

  No H/Q in entry =           9
  In of MODEL   51
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   51
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.473   1.685 -15.888
    4   HG12  ILE  12          HG12      ILE  12   2.673   0.269 -14.897
    5   HG13  ILE  12          HG13      ILE  12   4.224  -0.543 -14.934
    6   HG23  ILE  12          HG21      ILE  12   6.269   2.523 -14.497
    7   HG22  ILE  12          HG22      ILE  12   6.298   0.759 -14.460
    8   HG21  ILE  12          HG23      ILE  12   5.637   1.659 -13.096
    9   HD13  ILE  12          HD11      ILE  12   3.271  -0.997 -12.795
   10   HD12  ILE  12          HD12      ILE  12   2.799   0.679 -12.573
   11   HD11  ILE  12          HD13      ILE  12   4.498   0.230 -12.527

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.022   5.806 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.827   3.929 -17.800
    5   HG13  ILE  13          HG13      ILE  13   5.643   4.722 -19.362
    6   HG22  ILE  13          HG21      ILE  13   5.785   7.372 -19.080
    7   HG21  ILE  13          HG22      ILE  13   6.402   7.558 -17.438
    8   HG23  ILE  13          HG23      ILE  13   4.752   8.050 -17.821
    9   HD11  ILE  13          HD11      ILE  13   7.571   5.930 -17.423
   10   HD13  ILE  13          HD12      ILE  13   7.649   5.847 -19.182
   11   HD12  ILE  13          HD13      ILE  13   8.039   4.426 -18.215

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   51
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   51
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   51
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   51
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   51
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   51
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   51
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   51
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   51
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   51
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   51
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   51
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   51
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   51
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   51
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   51
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   51
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   51
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   51
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   51
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.046  -8.757
    4    HB3  HIS  52           HB3      HIS  52  -7.540   7.687  -9.497
    5    HD1  HIS  52           HD1      HIS  52  -9.705   6.057  -9.315
    6    HD2  HIS  52           HD2      HIS  52  -6.551   5.215  -6.724
    7    HE1  HIS  52           HE1      HIS  52 -10.646   4.559  -7.510
    8    HE2  HIS  52           HE2      HIS  52  -8.738   4.040  -5.914

  No H/Q in entry =           8
  In of MODEL   51
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   51
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   51
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   51
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.907   3.584 -12.100
    4    HG1  THR  56           HG1      THR  56 -10.041   3.908 -10.638
    5   HG21  THR  56          HG21      THR  56 -13.297   1.670 -10.716
    6   HG23  THR  56          HG22      THR  56 -13.816   3.349 -10.857
    7   HG22  THR  56          HG23      THR  56 -12.932   2.817  -9.428

  No H/Q in entry =           7
  In of MODEL   51
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   51
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.670  -1.965 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.915  -4.334  -9.009
    5   HG13  ILE  59          HG13      ILE  59  -9.322  -4.416  -9.743
    6   HG22  ILE  59          HG21      ILE  59 -11.524  -1.710  -8.722
    7   HG21  ILE  59          HG22      ILE  59 -12.541  -2.672  -9.762
    8   HG23  ILE  59          HG23      ILE  59 -11.951  -1.113 -10.315
    9   HD13  ILE  59          HD11      ILE  59  -8.812  -3.790  -7.549
   10   HD12  ILE  59          HD12      ILE  59 -10.232  -2.755  -7.418
   11   HD11  ILE  59          HD13      ILE  59  -8.850  -2.236  -8.382

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   51
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   51
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   51
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   51
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   51
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   51
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   51
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   51
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   51
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LEU  74           H        LEU  74  -3.301  -7.020 -13.391
    2    HA   LEU  74           HA       LEU  74  -3.917  -4.376 -12.786
    3    HB2  LEU  74           HB2      LEU  74  -5.584  -6.134 -12.848
    4    HB3  LEU  74           HB3      LEU  74  -4.801  -6.983 -11.522
    5    HG   LEU  74           HG       LEU  74  -5.305  -5.077 -10.025
    6   HD13  LEU  74          HD11      LEU  74  -5.403  -3.187 -11.423
    7   HD12  LEU  74          HD12      LEU  74  -7.096  -3.464 -11.017
    8   HD11  LEU  74          HD13      LEU  74  -6.470  -3.979 -12.582
    9   HD23  LEU  74          HD21      LEU  74  -7.916  -5.795 -11.345
   10   HD22  LEU  74          HD22      LEU  74  -7.500  -5.781  -9.640
   11   HD21  LEU  74          HD23      LEU  74  -6.923  -7.085 -10.670

  No H/Q in entry =          11
  In of MODEL   51
    1    H    VAL  75           H        VAL  75  -2.295  -6.808 -10.873
    2    HA   VAL  75           HA       VAL  75  -2.153  -5.313  -8.453
    3    HB   VAL  75           HB       VAL  75  -0.183  -7.433  -9.316
    4   HG13  VAL  75          HG11      VAL  75   0.497  -6.508  -7.261
    5   HG12  VAL  75          HG12      VAL  75  -0.458  -7.905  -6.767
    6   HG11  VAL  75          HG13      VAL  75  -1.162  -6.290  -6.705
    7   HG21  VAL  75          HG21      VAL  75  -2.967  -7.791  -8.137
    8   HG23  VAL  75          HG22      VAL  75  -1.778  -9.081  -8.327
    9   HG22  VAL  75          HG23      VAL  75  -2.450  -8.285  -9.749

  No H/Q in entry =           9
  In of MODEL   51
    1    H    HIS  76           H        HIS  76   0.145  -5.691 -11.277
    2    HA   HIS  76           HA       HIS  76   2.301  -4.228 -10.243
    3    HB2  HIS  76           HB2      HIS  76   2.319  -5.548 -12.380
    4    HB3  HIS  76           HB3      HIS  76   1.411  -4.236 -13.134
    5    HD1  HIS  76           HD1      HIS  76   4.092  -3.585 -10.577
    6    HD2  HIS  76           HD2      HIS  76   3.592  -3.321 -14.707
    7    HE1  HIS  76           HE1      HIS  76   6.090  -2.303 -11.460

  No H/Q in entry =           7
  In of MODEL   51
    1    H    ALA  77           H        ALA  77  -0.540  -3.130 -12.073
    2    HA   ALA  77           HA       ALA  77   0.221  -0.381 -12.088
    3    HB2  ALA  77           HB1      ALA  77  -2.365  -0.138 -12.487
    4    HB3  ALA  77           HB2      ALA  77  -2.312  -1.894 -12.636
    5    HB1  ALA  77           HB3      ALA  77  -1.358  -0.889 -13.726

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLN  78           H        GLN  78  -1.813  -2.353  -9.953
    2    HA   GLN  78           HA       GLN  78  -2.756  -0.210  -8.352
    3    HB2  GLN  78           HB2      GLN  78  -3.645  -2.615  -8.497
    4    HB3  GLN  78           HB3      GLN  78  -2.337  -3.042  -7.394
    5    HG2  GLN  78           HG2      GLN  78  -3.160  -1.411  -5.760
    6    HG3  GLN  78           HG3      GLN  78  -4.452  -0.940  -6.862
    7   HE21  GLN  78          HE21      GLN  78  -6.394  -1.914  -6.291
    8   HE22  GLN  78          HE22      GLN  78  -6.549  -3.474  -5.639

  No H/Q in entry =           8
  In of MODEL   51
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   51
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.318   0.888 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.963   2.519 -10.293
    5    HD1  HIS  80           HD1      HIS  80   5.420   2.788 -10.604
    6    HD2  HIS  80           HD2      HIS  80   4.387  -1.180  -9.858
    7    HE1  HIS  80           HE1      HIS  80   7.556   1.434 -10.834
    8    HE2  HIS  80           HE2      HIS  80   6.937  -0.990 -10.383

  No H/Q in entry =           8
  In of MODEL   51
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   51
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   51
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   51
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   51
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   51
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   51
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   51
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   51
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   51
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   51
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   51
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   51
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   51
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   51
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   51
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   51
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   51
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   51
    1    H    PHE   9           H        PHE   9 -21.287   0.634  -3.910
    2    HA   PHE   9           HA       PHE   9 -18.525   1.523  -4.534
    3    HB2  PHE   9           HB2      PHE   9 -20.342   2.423  -2.291
    4    HB3  PHE   9           HB3      PHE   9 -18.633   2.838  -2.422
    5    HD1  PHE   9           HD1      PHE   9 -21.991   3.482  -3.661
    6    HD2  PHE   9           HD2      PHE   9 -17.815   4.188  -4.364
    7    HE1  PHE   9           HE1      PHE   9 -22.566   5.342  -5.195
    8    HE2  PHE   9           HE2      PHE   9 -18.389   6.049  -5.901
    9    HZ   PHE   9           HZ       PHE   9 -20.765   6.626  -6.316

  No H/Q in entry =           9
  In of MODEL   51
    1    H    CYS  10           H        CYS  10 -16.922   0.871  -3.250
    2    HA   CYS  10           HA       CYS  10 -17.244  -0.885  -0.965
    3    HB2  CYS  10           HB2      CYS  10 -16.061  -2.751  -1.796
    4    HB3  CYS  10           HB3      CYS  10 -17.144  -2.327  -3.125

  No H/Q in entry =           4
  In of MODEL   51
    1    H    SER  11           H        SER  11 -14.261  -1.602  -0.800
    2    HA   SER  11           HA       SER  11 -13.542   1.117  -0.098
    3    HB2  SER  11           HB2      SER  11 -12.204  -1.549   0.170
    4    HB3  SER  11           HB3      SER  11 -11.253  -0.089   0.343
    5    HG   SER  11           HG       SER  11 -12.368   0.456   2.103

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA  12           H        ALA  12 -12.111  -1.324  -2.383
    2    HA   ALA  12           HA       ALA  12 -10.726   0.934  -3.669
    3    HB1  ALA  12           HB1      ALA  12  -9.973  -1.777  -3.012
    4    HB3  ALA  12           HB2      ALA  12  -8.960  -0.448  -3.573
    5    HB2  ALA  12           HB3      ALA  12  -9.778  -1.486  -4.740

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLY  13           H        GLY  13 -12.874  -1.783  -4.257
    2    HA3  GLY  13           HA2      GLY  13 -14.650  -1.452  -5.898
    3    HA2  GLY  13           HA3      GLY  13 -13.453  -0.684  -6.934

  No H/Q in entry =           3
  In of MODEL   51
    1    H    MET  14           H        MET  14 -12.636  -3.666  -5.174
    2    HA   MET  14           HA       MET  14 -12.494  -4.966  -7.816
    3    HB2  MET  14           HB2      MET  14 -10.405  -4.737  -6.426
    4    HB3  MET  14           HB3      MET  14 -11.131  -5.863  -5.278
    5    HG2  MET  14           HG2      MET  14 -11.363  -7.544  -7.074
    6    HG3  MET  14           HG3      MET  14 -10.630  -6.422  -8.219
    7    HE3  MET  14           HE1      MET  14  -8.815  -9.452  -7.664
    8    HE2  MET  14           HE2      MET  14  -7.718  -8.296  -8.412
    9    HE1  MET  14           HE3      MET  14  -9.432  -8.260  -8.813

  No H/Q in entry =           9
  In of MODEL   51
    1    H    SER  15           H        SER  15 -12.806  -6.316  -4.564
    2    HA   SER  15           HA       SER  15 -14.063  -8.646  -5.206
    3    HB2  SER  15           HB2      SER  15 -13.398  -7.786  -2.885
    4    HB3  SER  15           HB3      SER  15 -15.008  -7.069  -2.828
    5    HG   SER  15           HG       SER  15 -14.280  -9.609  -2.434

  No H/Q in entry =           5
  In of MODEL   51
    1    H    THR  16           H        THR  16 -15.498  -5.457  -5.469
    2    HA   THR  16           HA       THR  16 -18.178  -6.682  -5.632
    3    HB   THR  16           HB       THR  16 -17.438  -3.761  -5.930
    4    HG1  THR  16           HG1      THR  16 -16.894  -4.177  -3.894
    5   HG23  THR  16          HG21      THR  16 -19.607  -4.058  -6.781
    6   HG22  THR  16          HG22      THR  16 -19.899  -3.629  -5.094
    7   HG21  THR  16          HG23      THR  16 -19.997  -5.315  -5.605

  No H/Q in entry =           7
  In of MODEL   51
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   51
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   51
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   51
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   51
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   51
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   51
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   51
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   51
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   51
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   51
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   51
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   51
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   51
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   51
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   51
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   51
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   51
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   51
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   51
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   51
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   51
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   51
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   51
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   51
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   51
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   51
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   51
    1    HA   PRO  58           HA       PRO  58 -23.306  -4.449   3.152
    2    HB2  PRO  58           HB2      PRO  58 -21.605  -6.876   3.250
    3    HB3  PRO  58           HB3      PRO  58 -23.366  -6.719   3.387
    4    HG2  PRO  58           HG2      PRO  58 -22.187  -7.715   1.198
    5    HG3  PRO  58           HG3      PRO  58 -23.683  -6.770   1.124
    6    HD2  PRO  58           HD2      PRO  58 -20.886  -5.928   0.412
    7    HD3  PRO  58           HD3      PRO  58 -22.442  -5.472  -0.320

  No H/Q in entry =           7
  In of MODEL   51
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   51
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   51
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   51
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   51
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   51
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   51
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   51
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   51
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   51
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   51
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   51
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   51
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   51
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   51
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   51
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   51
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   51
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   51
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   51
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   51
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   51
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   51
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   51
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   51
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   51
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   51
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   51
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   51
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   51
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   51
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   51
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   51
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   51
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   51
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   51
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   51
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   51
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   52
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   52
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.281 -14.270  -2.739
    4    HB3  GLU   5           HB3      GLU   5 -14.688 -13.944  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.610 -11.571  -2.333
    6    HG3  GLU   5           HG3      GLU   5 -13.160 -11.848  -3.298

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   52
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   52
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   52
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.711  -8.425   1.552
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.704   1.333
    5    HG2  MET   9           HG2      MET   9 -14.278  -6.811  -0.977
    6    HG3  MET   9           HG3      MET   9 -13.799  -8.496  -0.779
    7    HE1  MET   9           HE1      MET   9 -16.315  -5.900  -0.501
    8    HE3  MET   9           HE2      MET   9 -17.397  -6.792   0.563
    9    HE2  MET   9           HE3      MET   9 -17.836  -6.548  -1.121

  No H/Q in entry =           9
  In of MODEL   52
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   52
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.381   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.253  -6.175   0.968
    5   HG13  ILE  12          HG13      ILE  12  -9.698  -5.423  -0.551
    6   HG21  ILE  12          HG21      ILE  12 -10.246  -2.043   0.915
    7   HG23  ILE  12          HG22      ILE  12 -10.261  -2.964  -0.590
    8   HG22  ILE  12          HG23      ILE  12  -8.734  -2.626   0.233
    9   HD13  ILE  12          HD11      ILE  12  -7.314  -5.666  -0.571
   10   HD12  ILE  12          HD12      ILE  12  -7.177  -5.038   1.062
   11   HD11  ILE  12          HD13      ILE  12  -7.641  -3.970  -0.255

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.608   5.230
    4   HG12  ILE  13          HG12      ILE  13 -13.497  -3.062   2.664
    5   HG13  ILE  13          HG13      ILE  13 -14.926  -3.517   3.577
    6   HG21  ILE  13          HG21      ILE  13 -13.875  -0.664   5.467
    7   HG23  ILE  13          HG22      ILE  13 -13.749  -1.874   6.745
    8   HG22  ILE  13          HG23      ILE  13 -15.158  -1.856   5.683
    9   HD11  ILE  13          HD11      ILE  13 -14.220  -0.613   3.446
   10   HD13  ILE  13          HD12      ILE  13 -15.802  -1.374   3.544
   11   HD12  ILE  13          HD13      ILE  13 -14.925  -1.363   2.016

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   52
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   52
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   52
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   52
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   52
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   52
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   52
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   52
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   52
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   52
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   52
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   52
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   52
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   52
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   52
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   52
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   52
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   52
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   52
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   52
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.932  -6.674  10.549
    4    HB3  HIS  52           HB3      HIS  52  -1.121  -7.731  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.217 -10.044  11.860
    6    HD2  HIS  52           HD2      HIS  52   1.285  -7.262   8.945
    7    HE1  HIS  52           HE1      HIS  52   2.430 -10.821  10.905
    8    HE2  HIS  52           HE2      HIS  52   3.096  -9.135   9.127

  No H/Q in entry =           8
  In of MODEL   52
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   52
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   52
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   52
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.221  10.983
    4    HG1  THR  56           HG1      THR  56  -0.477 -12.038   9.996
    5   HG22  THR  56          HG21      THR  56   1.855 -14.275  10.511
    6   HG21  THR  56          HG22      THR  56   0.942 -15.686   9.979
    7   HG23  THR  56          HG23      THR  56   0.879 -15.182  11.666

  No H/Q in entry =           7
  In of MODEL   52
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   52
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.913
    4   HG12  ILE  59          HG12      ILE  59   2.377 -16.256   3.432
    5   HG13  ILE  59          HG13      ILE  59   1.135 -15.320   2.614
    6   HG21  ILE  59          HG21      ILE  59   1.119 -16.023   6.798
    7   HG23  ILE  59          HG22      ILE  59   2.388 -15.064   6.085
    8   HG22  ILE  59          HG23      ILE  59   2.287 -16.780   5.730
    9   HD11  ILE  59          HD11      ILE  59   1.930 -13.329   4.039
   10   HD13  ILE  59          HD12      ILE  59   2.986 -13.851   2.727
   11   HD12  ILE  59          HD13      ILE  59   3.352 -14.313   4.388

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   52
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   52
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   52
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   52
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   52
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   52
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   52
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   52
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LEU  74           H        LEU  74  -4.200 -13.635  -2.387
    2    HA   LEU  74           HA       LEU  74  -3.794 -12.464   0.116
    3    HB2  LEU  74           HB2      LEU  74  -2.876 -14.621  -0.534
    4    HB3  LEU  74           HB3      LEU  74  -1.878 -13.858  -1.766
    5    HG   LEU  74           HG       LEU  74  -0.671 -12.620   0.006
    6   HD12  LEU  74          HD11      LEU  74  -1.067 -13.593   2.379
    7   HD11  LEU  74          HD12      LEU  74  -2.620 -14.132   1.745
    8   HD13  LEU  74          HD13      LEU  74  -2.229 -12.412   1.775
    9   HD22  LEU  74          HD21      LEU  74   0.724 -14.441   0.544
   10   HD21  LEU  74          HD22      LEU  74  -0.161 -15.070  -0.834
   11   HD23  LEU  74          HD23      LEU  74  -0.642 -15.525   0.796

  No H/Q in entry =          11
  In of MODEL   52
    1    H    VAL  75           H        VAL  75  -2.690 -11.559  -3.038
    2    HA   VAL  75           HA       VAL  75  -0.708  -9.668  -2.222
    3    HB   VAL  75           HB       VAL  75  -2.223 -10.091  -4.807
    4   HG13  VAL  75          HG11      VAL  75  -1.726  -7.733  -4.721
    5   HG12  VAL  75          HG12      VAL  75  -0.537  -8.485  -5.784
    6   HG11  VAL  75          HG13      VAL  75  -0.093  -8.045  -4.136
    7   HG22  VAL  75          HG21      VAL  75  -0.535 -11.801  -4.210
    8   HG21  VAL  75          HG22      VAL  75   0.678 -10.538  -4.007
    9   HG23  VAL  75          HG23      VAL  75  -0.003 -10.856  -5.600

  No H/Q in entry =           9
  In of MODEL   52
    1    H    HIS  76           H        HIS  76  -4.397  -9.266  -3.350
    2    HA   HIS  76           HA       HIS  76  -4.711  -6.493  -3.166
    3    HB2  HIS  76           HB2      HIS  76  -6.460  -8.067  -4.045
    4    HB3  HIS  76           HB3      HIS  76  -6.811  -8.544  -2.389
    5    HD1  HIS  76           HD1      HIS  76  -6.033  -4.934  -2.771
    6    HD2  HIS  76           HD2      HIS  76  -9.477  -7.308  -2.893
    7    HE1  HIS  76           HE1      HIS  76  -8.016  -3.347  -2.600

  No H/Q in entry =           7
  In of MODEL   52
    1    H    ALA  77           H        ALA  77  -4.713  -8.954  -0.654
    2    HA   ALA  77           HA       ALA  77  -5.512  -7.107   1.430
    3    HB1  ALA  77           HB1      ALA  77  -4.744  -9.117   2.896
    4    HB3  ALA  77           HB2      ALA  77  -4.649  -9.985   1.364
    5    HB2  ALA  77           HB3      ALA  77  -6.185  -9.301   1.895

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLN  78           H        GLN  78  -2.466  -8.797   0.533
    2    HA   GLN  78           HA       GLN  78  -0.916  -7.720   2.616
    3    HB2  GLN  78           HB2      GLN  78  -0.348  -9.647   1.023
    4    HB3  GLN  78           HB3      GLN  78   0.149  -8.406  -0.126
    5    HG2  GLN  78           HG2      GLN  78   1.713  -7.497   1.572
    6    HG3  GLN  78           HG3      GLN  78   1.256  -8.799   2.668
    7   HE21  GLN  78          HE21      GLN  78   1.016 -10.605   0.133
    8   HE22  GLN  78          HE22      GLN  78   2.626 -11.039  -0.183

  No H/Q in entry =           8
  In of MODEL   52
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   52
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.178
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.801   2.200
    5    HD1  HIS  80           HD1      HIS  80  -6.710  -0.955   1.167
    6    HD2  HIS  80           HD2      HIS  80  -5.042  -3.462  -1.717
    7    HE1  HIS  80           HE1      HIS  80  -7.587  -0.151  -1.077
    8    HE2  HIS  80           HE2      HIS  80  -6.577  -1.675  -2.844

  No H/Q in entry =           8
  In of MODEL   52
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   52
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   52
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   52
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   52
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   52
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   52
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   52
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   52
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   52
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   52
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   52
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   52
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   52
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   52
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.427 -20.434  -4.411
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.883  -3.470
    5    HG2  GLU   5           HG2      GLU   5  10.887 -19.835  -1.473
    6    HG3  GLU   5           HG3      GLU   5   9.475 -19.334  -2.402

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   52
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   52
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   52
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.037 -16.706   0.857
    4    HB3  MET   9           HB3      MET   9  13.729 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.345 -16.599   2.252
    6    HG3  MET   9           HG3      MET   9  11.576 -17.029   0.556
    7    HE1  MET   9           HE1      MET   9  12.467 -17.481   4.055
    8    HE3  MET   9           HE2      MET   9  13.999 -18.294   3.742
    9    HE2  MET   9           HE3      MET   9  12.628 -19.215   4.355

  No H/Q in entry =           9
  In of MODEL   52
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   52
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.312
    4   HG12  ILE  12          HG12      ILE  12  10.853 -11.581  -0.009
    5   HG13  ILE  12          HG13      ILE  12   9.626 -12.248   1.049
    6   HG23  ILE  12          HG21      ILE  12  10.857 -10.577   4.134
    7   HG22  ILE  12          HG22      ILE  12   9.511 -11.472   3.430
    8   HG21  ILE  12          HG23      ILE  12   9.731  -9.765   3.051
    9   HD13  ILE  12          HD11      ILE  12   8.563 -10.529  -0.218
   10   HD12  ILE  12          HD12      ILE  12   9.901  -9.422   0.031
   11   HD11  ILE  12          HD13      ILE  12   8.848  -9.844   1.374

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.101 -11.636   3.844
    4   HG12  ILE  13          HG12      ILE  13  13.816 -12.626   4.657
    5   HG13  ILE  13          HG13      ILE  13  15.294 -13.527   4.973
    6   HG21  ILE  13          HG21      ILE  13  16.135 -10.489   6.628
    7   HG23  ILE  13          HG22      ILE  13  17.408 -10.469   5.408
    8   HG22  ILE  13          HG23      ILE  13  17.023 -11.967   6.257
    9   HD11  ILE  13          HD11      ILE  13  14.430 -11.547   7.037
   10   HD13  ILE  13          HD12      ILE  13  15.230 -13.104   7.239
   11   HD12  ILE  13          HD13      ILE  13  13.501 -13.039   6.901

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   52
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   52
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   52
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   52
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   52
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   52
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   52
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   52
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   52
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   52
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   52
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   52
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   52
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   52
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   52
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   52
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   52
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   52
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   52
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   52
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.296  -1.676  -5.695
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.634
    5    HD1  HIS  52           HD1      HIS  52  17.491  -1.983  -9.283
    6    HD2  HIS  52           HD2      HIS  52  14.032  -0.982  -7.183
    7    HE1  HIS  52           HE1      HIS  52  15.840  -1.115 -10.995
    8    HE2  HIS  52           HE2      HIS  52  13.726  -0.499  -9.731

  No H/Q in entry =           8
  In of MODEL   52
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   52
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   52
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   52
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.066
    4    HG1  THR  56           HG1      THR  56  16.362  -4.293 -10.438
    5   HG22  THR  56          HG21      THR  56  16.200  -3.465 -13.593
    6   HG21  THR  56          HG22      THR  56  16.301  -5.092 -14.265
    7   HG23  THR  56          HG23      THR  56  17.772  -4.169 -13.970

  No H/Q in entry =           7
  In of MODEL   52
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   52
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.839  -7.162 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.888  -7.043 -14.835
    5   HG13  ILE  59          HG13      ILE  59   9.522  -7.846 -13.316
    6   HG21  ILE  59          HG21      ILE  59  13.404  -6.459 -14.321
    7   HG23  ILE  59          HG22      ILE  59  12.111  -5.313 -14.084
    8   HG22  ILE  59          HG23      ILE  59  12.071  -6.404 -15.460
    9   HD11  ILE  59          HD11      ILE  59  10.197  -5.639 -12.178
   10   HD13  ILE  59          HD12      ILE  59   8.658  -5.661 -13.039
   11   HD12  ILE  59          HD13      ILE  59  10.075  -4.922 -13.785

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   52
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   52
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   52
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   52
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   52
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   52
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   52
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   52
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LEU  74           H        LEU  74   6.930 -13.099  -8.616
    2    HA   LEU  74           HA       LEU  74   8.868 -11.152  -8.089
    3    HB2  LEU  74           HB2      LEU  74   8.219 -11.830 -10.333
    4    HB3  LEU  74           HB3      LEU  74   6.589 -11.215 -10.081
    5    HG   LEU  74           HG       LEU  74   7.511  -8.930  -9.833
    6   HD12  LEU  74          HD11      LEU  74   9.953  -8.715 -10.685
    7   HD11  LEU  74          HD12      LEU  74  10.097 -10.423 -10.274
    8   HD13  LEU  74          HD13      LEU  74   9.712  -9.243  -9.021
    9   HD22  LEU  74          HD21      LEU  74   7.697  -8.582 -12.157
   10   HD21  LEU  74          HD22      LEU  74   6.902 -10.144 -12.093
   11   HD23  LEU  74          HD23      LEU  74   8.634 -10.056 -12.390

  No H/Q in entry =          11
  In of MODEL   52
    1    H    VAL  75           H        VAL  75   5.408 -11.110  -7.735
    2    HA   VAL  75           HA       VAL  75   5.078  -8.344  -7.171
    3    HB   VAL  75           HB       VAL  75   3.425 -10.789  -6.514
    4   HG13  VAL  75          HG11      VAL  75   3.002  -9.185  -4.742
    5   HG12  VAL  75          HG12      VAL  75   1.635  -9.153  -5.856
    6   HG11  VAL  75          HG13      VAL  75   2.847  -7.874  -5.912
    7   HG22  VAL  75          HG21      VAL  75   3.500 -10.099  -8.885
    8   HG21  VAL  75          HG22      VAL  75   3.033  -8.460  -8.432
    9   HG23  VAL  75          HG23      VAL  75   1.903  -9.793  -8.203

  No H/Q in entry =           9
  In of MODEL   52
    1    H    HIS  76           H        HIS  76   5.568 -11.256  -4.987
    2    HA   HIS  76           HA       HIS  76   5.358  -9.942  -2.520
    3    HB2  HIS  76           HB2      HIS  76   5.560 -12.454  -2.942
    4    HB3  HIS  76           HB3      HIS  76   7.302 -12.188  -3.052
    5    HD1  HIS  76           HD1      HIS  76   5.272 -10.117  -0.693
    6    HD2  HIS  76           HD2      HIS  76   7.744 -13.470  -0.520
    7    HE1  HIS  76           HE1      HIS  76   5.759 -10.522   1.758

  No H/Q in entry =           7
  In of MODEL   52
    1    H    ALA  77           H        ALA  77   8.190 -10.456  -4.607
    2    HA   ALA  77           HA       ALA  77  10.019  -9.149  -2.849
    3    HB3  ALA  77           HB1      ALA  77  11.368  -8.970  -5.085
    4    HB2  ALA  77           HB2      ALA  77  10.086  -9.994  -5.729
    5    HB1  ALA  77           HB3      ALA  77  11.072 -10.561  -4.382

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLN  78           H        GLN  78   8.154  -8.070  -5.686
    2    HA   GLN  78           HA       GLN  78   9.275  -5.474  -5.810
    3    HB2  GLN  78           HB2      GLN  78   7.869  -6.718  -7.571
    4    HB3  GLN  78           HB3      GLN  78   6.464  -6.178  -6.652
    5    HG2  GLN  78           HG2      GLN  78   7.235  -3.836  -6.886
    6    HG3  GLN  78           HG3      GLN  78   8.595  -4.394  -7.859
    7   HE21  GLN  78          HE21      GLN  78   6.655  -6.558  -8.995
    8   HE22  GLN  78          HE22      GLN  78   5.780  -5.708 -10.175

  No H/Q in entry =           8
  In of MODEL   52
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   52
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.171  -7.451  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.037  -6.564   0.738
    5    HD1  HIS  80           HD1      HIS  80   9.390  -7.053   3.095
    6    HD2  HIS  80           HD2      HIS  80   6.448  -8.271   0.403
    7    HE1  HIS  80           HE1      HIS  80   7.612  -8.243   4.463
    8    HE2  HIS  80           HE2      HIS  80   5.812  -8.990   2.831

  No H/Q in entry =           8
  In of MODEL   52
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   52
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   52
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   52
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   52
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   52
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   52
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   52
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   52
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   52
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   52
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   52
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   52
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   52
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   52
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.100  -6.380 -21.738
    4    HB3  GLU   5           HB3      GLU   5   0.427  -5.145 -22.953
    5    HG2  GLU   5           HG2      GLU   5   2.485  -4.503 -21.774
    6    HG3  GLU   5           HG3      GLU   5   2.156  -5.699 -20.523

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   52
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   52
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   52
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.435 -21.000
    4    HB3  MET   9           HB3      MET   9   4.426   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.222  -0.955 -19.655
    6    HG3  MET   9           HG3      MET   9   3.656  -1.704 -19.965
    7    HE1  MET   9           HE1      MET   9   6.516   0.190 -21.168
    8    HE3  MET   9           HE2      MET   9   5.725   0.798 -22.620
    9    HE2  MET   9           HE3      MET   9   6.964  -0.447 -22.755

  No H/Q in entry =           9
  In of MODEL   52
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   52
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.480   1.689 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.666   0.279 -14.901
    5   HG13  ILE  12          HG13      ILE  12   4.212  -0.541 -14.956
    6   HG23  ILE  12          HG21      ILE  12   6.265   2.522 -14.473
    7   HG22  ILE  12          HG22      ILE  12   6.297   0.758 -14.460
    8   HG21  ILE  12          HG23      ILE  12   5.627   1.637 -13.088
    9   HD13  ILE  12          HD11      ILE  12   3.279  -1.015 -12.816
   10   HD12  ILE  12          HD12      ILE  12   2.799   0.657 -12.576
   11   HD11  ILE  12          HD13      ILE  12   4.501   0.216 -12.541

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.810 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.825   3.928 -17.796
    5   HG13  ILE  13          HG13      ILE  13   5.633   4.714 -19.360
    6   HG21  ILE  13          HG21      ILE  13   6.351   7.589 -17.376
    7   HG23  ILE  13          HG22      ILE  13   4.731   8.039 -17.909
    8   HG22  ILE  13          HG23      ILE  13   5.876   7.344 -19.057
    9   HD11  ILE  13          HD11      ILE  13   7.571   5.933 -17.440
   10   HD13  ILE  13          HD12      ILE  13   7.643   5.833 -19.198
   11   HD12  ILE  13          HD13      ILE  13   8.034   4.421 -18.218

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   52
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   52
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   52
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   52
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   52
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   52
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   52
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   52
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   52
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   52
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   52
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   52
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   52
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   52
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   52
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   52
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   52
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   52
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   52
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   52
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.019  -8.741
    4    HB3  HIS  52           HB3      HIS  52  -7.513   7.702  -9.500
    5    HD1  HIS  52           HD1      HIS  52  -9.753   6.267  -9.263
    6    HD2  HIS  52           HD2      HIS  52  -6.599   5.051  -6.825
    7    HE1  HIS  52           HE1      HIS  52 -10.753   4.747  -7.509
    8    HE2  HIS  52           HE2      HIS  52  -8.845   4.000  -6.006

  No H/Q in entry =           8
  In of MODEL   52
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   52
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   52
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   52
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.902   3.587 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.019   3.765 -10.514
    5   HG22  THR  56          HG21      THR  56 -12.947   2.781  -9.430
    6   HG21  THR  56          HG22      THR  56 -13.306   1.678 -10.758
    7   HG23  THR  56          HG23      THR  56 -13.809   3.364 -10.854

  No H/Q in entry =           7
  In of MODEL   52
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   52
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.668  -1.967 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.922  -4.335  -9.013
    5   HG13  ILE  59          HG13      ILE  59  -9.324  -4.416  -9.739
    6   HG23  ILE  59          HG21      ILE  59 -11.941  -1.129 -10.328
    7   HG22  ILE  59          HG22      ILE  59 -11.489  -1.660  -8.729
    8   HG21  ILE  59          HG23      ILE  59 -12.545  -2.658  -9.715
    9   HD11  ILE  59          HD11      ILE  59  -8.842  -2.252  -8.373
   10   HD13  ILE  59          HD12      ILE  59  -8.845  -3.800  -7.530
   11   HD12  ILE  59          HD13      ILE  59 -10.248  -2.737  -7.426

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   52
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   52
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   52
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   52
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   52
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   52
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   52
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   52
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   52
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LEU  74           H        LEU  74  -3.296  -7.029 -13.326
    2    HA   LEU  74           HA       LEU  74  -3.873  -4.372 -12.705
    3    HB2  LEU  74           HB2      LEU  74  -5.539  -6.152 -12.720
    4    HB3  LEU  74           HB3      LEU  74  -4.732  -6.960 -11.382
    5    HG   LEU  74           HG       LEU  74  -5.208  -5.003  -9.939
    6   HD12  LEU  74          HD11      LEU  74  -7.006  -3.418 -10.929
    7   HD11  LEU  74          HD12      LEU  74  -6.458  -4.004 -12.498
    8   HD13  LEU  74          HD13      LEU  74  -5.334  -3.168 -11.427
    9   HD22  LEU  74          HD21      LEU  74  -7.426  -5.668  -9.500
   10   HD21  LEU  74          HD22      LEU  74  -6.827  -7.030 -10.430
   11   HD23  LEU  74          HD23      LEU  74  -7.817  -5.805 -11.214

  No H/Q in entry =          11
  In of MODEL   52
    1    H    VAL  75           H        VAL  75  -2.153  -6.808 -10.926
    2    HA   VAL  75           HA       VAL  75  -1.906  -5.433  -8.452
    3    HB   VAL  75           HB       VAL  75  -0.293  -7.642  -9.733
    4   HG13  VAL  75          HG11      VAL  75   1.251  -6.397  -8.330
    5   HG12  VAL  75          HG12      VAL  75   0.795  -7.872  -7.479
    6   HG11  VAL  75          HG13      VAL  75   0.070  -6.332  -7.023
    7   HG22  VAL  75          HG21      VAL  75  -2.567  -8.218  -8.943
    8   HG21  VAL  75          HG22      VAL  75  -2.193  -7.543  -7.357
    9   HG23  VAL  75          HG23      VAL  75  -1.345  -8.979  -7.926

  No H/Q in entry =           9
  In of MODEL   52
    1    H    HIS  76           H        HIS  76   0.293  -5.611 -11.383
    2    HA   HIS  76           HA       HIS  76   2.402  -4.063 -10.367
    3    HB2  HIS  76           HB2      HIS  76   2.324  -5.371 -12.567
    4    HB3  HIS  76           HB3      HIS  76   1.506  -3.963 -13.245
    5    HD1  HIS  76           HD1      HIS  76   3.463  -3.182 -14.714
    6    HD2  HIS  76           HD2      HIS  76   4.489  -3.550 -10.692
    7    HE1  HIS  76           HE1      HIS  76   5.745  -2.116 -14.458

  No H/Q in entry =           7
  In of MODEL   52
    1    H    ALA  77           H        ALA  77  -0.547  -3.081 -12.097
    2    HA   ALA  77           HA       ALA  77   0.102  -0.304 -12.113
    3    HB3  ALA  77           HB1      ALA  77  -2.489  -0.146 -12.446
    4    HB1  ALA  77           HB2      ALA  77  -2.400  -1.902 -12.573
    5    HB2  ALA  77           HB3      ALA  77  -1.505  -0.892 -13.707

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLN  78           H        GLN  78  -1.837  -2.351  -9.948
    2    HA   GLN  78           HA       GLN  78  -2.785  -0.241  -8.309
    3    HB2  GLN  78           HB2      GLN  78  -3.625  -2.668  -8.469
    4    HB3  GLN  78           HB3      GLN  78  -2.305  -3.069  -7.371
    5    HG2  GLN  78           HG2      GLN  78  -3.162  -1.388  -5.764
    6    HG3  GLN  78           HG3      GLN  78  -4.515  -1.066  -6.845
    7   HE21  GLN  78          HE21      GLN  78  -4.448  -4.098  -7.557
    8   HE22  GLN  78          HE22      GLN  78  -5.271  -4.819  -6.259

  No H/Q in entry =           8
  In of MODEL   52
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   52
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.313   0.894 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.971   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.428   2.770 -10.608
    6    HD2  HIS  80           HD2      HIS  80   4.367  -1.190  -9.857
    7    HE1  HIS  80           HE1      HIS  80   7.554   1.400 -10.840
    8    HE2  HIS  80           HE2      HIS  80   6.919  -1.019 -10.385

  No H/Q in entry =           8
  In of MODEL   52
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   52
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   52
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   52
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   52
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   52
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   52
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   52
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   52
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   52
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   52
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   52
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   52
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   52
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   52
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   52
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   52
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   52
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   52
    1    H    PHE   9           H        PHE   9 -21.290   0.644  -3.912
    2    HA   PHE   9           HA       PHE   9 -18.528   1.538  -4.531
    3    HB2  PHE   9           HB2      PHE   9 -20.360   2.452  -2.306
    4    HB3  PHE   9           HB3      PHE   9 -18.653   2.873  -2.432
    5    HD1  PHE   9           HD1      PHE   9 -22.006   3.464  -3.728
    6    HD2  PHE   9           HD2      PHE   9 -17.828   4.235  -4.350
    7    HE1  PHE   9           HE1      PHE   9 -22.579   5.307  -5.283
    8    HE2  PHE   9           HE2      PHE   9 -18.401   6.078  -5.909
    9    HZ   PHE   9           HZ       PHE   9 -20.777   6.614  -6.375

  No H/Q in entry =           9
  In of MODEL   52
    1    H    CYS  10           H        CYS  10 -16.929   0.941  -3.202
    2    HA   CYS  10           HA       CYS  10 -17.187  -0.707  -0.859
    3    HB2  CYS  10           HB2      CYS  10 -16.125  -2.681  -1.628
    4    HB3  CYS  10           HB3      CYS  10 -17.308  -2.308  -2.886

  No H/Q in entry =           4
  In of MODEL   52
    1    H    SER  11           H        SER  11 -14.464  -1.431  -0.374
    2    HA   SER  11           HA       SER  11 -13.443   1.161   0.004
    3    HB2  SER  11           HB2      SER  11 -12.166  -1.556   0.145
    4    HB3  SER  11           HB3      SER  11 -11.210  -0.106   0.369
    5    HG   SER  11           HG       SER  11 -12.399   0.418   2.132

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA  12           H        ALA  12 -12.202  -1.344  -2.349
    2    HA   ALA  12           HA       ALA  12 -10.822   0.893  -3.678
    3    HB1  ALA  12           HB1      ALA  12 -10.077  -1.819  -3.011
    4    HB3  ALA  12           HB2      ALA  12  -9.064  -0.500  -3.595
    5    HB2  ALA  12           HB3      ALA  12  -9.906  -1.540  -4.744

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLY  13           H        GLY  13 -13.040  -1.789  -4.207
    2    HA3  GLY  13           HA2      GLY  13 -14.797  -1.499  -5.856
    3    HA2  GLY  13           HA3      GLY  13 -13.617  -0.695  -6.884

  No H/Q in entry =           3
  In of MODEL   52
    1    H    MET  14           H        MET  14 -12.704  -3.648  -5.158
    2    HA   MET  14           HA       MET  14 -12.538  -4.945  -7.800
    3    HB2  MET  14           HB2      MET  14 -10.463  -4.680  -6.384
    4    HB3  MET  14           HB3      MET  14 -11.176  -5.840  -5.261
    5    HG2  MET  14           HG2      MET  14 -11.512  -7.289  -7.438
    6    HG3  MET  14           HG3      MET  14 -10.225  -6.269  -8.076
    7    HE2  MET  14           HE1      MET  14  -7.088  -7.394  -6.631
    8    HE1  MET  14           HE2      MET  14  -7.982  -5.981  -7.184
    9    HE3  MET  14           HE3      MET  14  -7.975  -7.447  -8.159

  No H/Q in entry =           9
  In of MODEL   52
    1    H    SER  15           H        SER  15 -12.853  -6.307  -4.541
    2    HA   SER  15           HA       SER  15 -14.085  -8.647  -5.211
    3    HB2  SER  15           HB2      SER  15 -13.441  -7.734  -2.874
    4    HB3  SER  15           HB3      SER  15 -15.102  -7.144  -2.826
    5    HG   SER  15           HG       SER  15 -14.820  -9.720  -3.745

  No H/Q in entry =           5
  In of MODEL   52
    1    H    THR  16           H        THR  16 -15.517  -5.469  -5.463
    2    HA   THR  16           HA       THR  16 -18.201  -6.682  -5.637
    3    HB   THR  16           HB       THR  16 -17.449  -3.766  -5.947
    4    HG1  THR  16           HG1      THR  16 -17.034  -3.940  -3.898
    5   HG21  THR  16          HG21      THR  16 -20.012  -5.311  -5.625
    6   HG23  THR  16          HG22      THR  16 -19.617  -4.051  -6.795
    7   HG22  THR  16          HG23      THR  16 -19.912  -3.627  -5.109

  No H/Q in entry =           7
  In of MODEL   52
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   52
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   52
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   52
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   52
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   52
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   52
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   52
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   52
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   52
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   52
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   52
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   52
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   52
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   52
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   52
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   52
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   52
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   52
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   52
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   52
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   52
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   52
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   52
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   52
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   52
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   52
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   52
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.050  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.561  -6.669   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.695   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.016  -5.616  -0.005
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.010

  No H/Q in entry =           7
  In of MODEL   52
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   52
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   52
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   52
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   52
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   52
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   52
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   52
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   52
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   52
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   52
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   52
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   52
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   52
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   52
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   52
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   52
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   52
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   52
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   52
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   52
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   52
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   52
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   52
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   52
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   52
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   52
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   52
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   52
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   52
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   52
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   52
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   52
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   52
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   52
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   52
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   52
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   52
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   53
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   53
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.288 -14.283  -2.729
    4    HB3  GLU   5           HB3      GLU   5 -14.695 -13.927  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.566 -11.555  -2.352
    6    HG3  GLU   5           HG3      GLU   5 -13.134 -11.880  -3.329

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   53
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   53
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   53
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.711  -8.425   1.552
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.704   1.333
    5    HG2  MET   9           HG2      MET   9 -14.285  -6.809  -0.977
    6    HG3  MET   9           HG3      MET   9 -13.794  -8.491  -0.780
    7    HE2  MET   9           HE1      MET   9 -17.862  -6.593  -1.142
    8    HE1  MET   9           HE2      MET   9 -16.336  -5.904  -0.599
    9    HE3  MET   9           HE3      MET   9 -17.363  -6.756   0.544

  No H/Q in entry =           9
  In of MODEL   53
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   53
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.959  -4.309   1.270
    4   HG12  ILE  12          HG12      ILE  12  -9.570  -6.244   0.917
    5   HG13  ILE  12          HG13      ILE  12  -9.611  -5.351  -0.591
    6   HG23  ILE  12          HG21      ILE  12 -10.175  -2.047   0.814
    7   HG22  ILE  12          HG22      ILE  12 -10.102  -3.023  -0.654
    8   HG21  ILE  12          HG23      ILE  12  -8.631  -2.688   0.269
    9   HD12  ILE  12          HD11      ILE  12  -7.364  -5.540   1.413
   10   HD11  ILE  12          HD12      ILE  12  -7.421  -4.281   0.192
   11   HD13  ILE  12          HD13      ILE  12  -7.363  -5.971  -0.289

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.494  -3.066   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.923  -3.523   3.577
    6   HG23  ILE  13          HG21      ILE  13 -13.714  -1.830   6.733
    7   HG22  ILE  13          HG22      ILE  13 -15.155  -1.892   5.717
    8   HG21  ILE  13          HG23      ILE  13 -13.923  -0.663   5.428
    9   HD13  ILE  13          HD11      ILE  13 -15.797  -1.369   3.552
   10   HD12  ILE  13          HD12      ILE  13 -14.942  -1.380   2.015
   11   HD11  ILE  13          HD13      ILE  13 -14.207  -0.621   3.425

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   53
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   53
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   53
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   53
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   53
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   53
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   53
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   53
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   53
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   53
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   53
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   53
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   53
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   53
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   53
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   53
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   53
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   53
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   53
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   53
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.945  -6.669  10.564
    4    HB3  HIS  52           HB3      HIS  52  -1.111  -7.749  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.194 -10.104  11.734
    6    HD2  HIS  52           HD2      HIS  52   1.315  -7.155   9.009
    7    HE1  HIS  52           HE1      HIS  52   2.419 -10.831  10.767
    8    HE2  HIS  52           HE2      HIS  52   3.117  -9.043   9.104

  No H/Q in entry =           8
  In of MODEL   53
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   53
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   53
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   53
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.094 -14.221  10.983
    4    HG1  THR  56           HG1      THR  56  -0.748 -12.099  10.738
    5   HG23  THR  56          HG21      THR  56   0.880 -15.211  11.655
    6   HG22  THR  56          HG22      THR  56   1.849 -14.258  10.532
    7   HG21  THR  56          HG23      THR  56   0.958 -15.664   9.953

  No H/Q in entry =           7
  In of MODEL   53
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   53
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.633   4.910
    4   HG12  ILE  59          HG12      ILE  59   2.384 -16.257   3.442
    5   HG13  ILE  59          HG13      ILE  59   1.141 -15.332   2.614
    6   HG21  ILE  59          HG21      ILE  59   1.114 -16.014   6.801
    7   HG23  ILE  59          HG22      ILE  59   2.388 -15.063   6.085
    8   HG22  ILE  59          HG23      ILE  59   2.280 -16.781   5.738
    9   HD12  ILE  59          HD11      ILE  59   3.342 -14.302   4.396
   10   HD11  ILE  59          HD12      ILE  59   1.921 -13.327   4.020
   11   HD13  ILE  59          HD13      ILE  59   2.993 -13.858   2.725

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   53
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   53
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   53
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   53
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   53
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   53
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   53
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   53
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LEU  74           H        LEU  74  -4.292 -13.682  -2.343
    2    HA   LEU  74           HA       LEU  74  -3.889 -12.582   0.166
    3    HB2  LEU  74           HB2      LEU  74  -2.974 -14.719  -0.497
    4    HB3  LEU  74           HB3      LEU  74  -1.976 -13.957  -1.731
    5    HG   LEU  74           HG       LEU  74  -0.722 -12.767   0.030
    6   HD13  LEU  74          HD11      LEU  74  -2.220 -12.493   1.819
    7   HD12  LEU  74          HD12      LEU  74  -1.142 -13.754   2.413
    8   HD11  LEU  74          HD13      LEU  74  -2.732 -14.179   1.779
    9   HD22  LEU  74          HD21      LEU  74   0.638 -14.610   0.511
   10   HD21  LEU  74          HD22      LEU  74  -0.340 -15.274  -0.786
   11   HD23  LEU  74          HD23      LEU  74  -0.739 -15.643   0.888

  No H/Q in entry =          11
  In of MODEL   53
    1    H    VAL  75           H        VAL  75  -2.666 -11.576  -2.923
    2    HA   VAL  75           HA       VAL  75  -0.712  -9.744  -1.895
    3    HB   VAL  75           HB       VAL  75  -2.022  -9.858  -4.630
    4   HG13  VAL  75          HG11      VAL  75  -0.989  -7.811  -4.714
    5   HG12  VAL  75          HG12      VAL  75   0.420  -8.812  -5.063
    6   HG11  VAL  75          HG13      VAL  75   0.148  -8.213  -3.428
    7   HG23  VAL  75          HG21      VAL  75   0.096 -11.062  -5.263
    8   HG22  VAL  75          HG22      VAL  75  -0.901 -11.969  -4.126
    9   HG21  VAL  75          HG23      VAL  75   0.527 -11.111  -3.554

  No H/Q in entry =           9
  In of MODEL   53
    1    H    HIS  76           H        HIS  76  -4.323  -9.333  -3.221
    2    HA   HIS  76           HA       HIS  76  -4.653  -6.562  -3.112
    3    HB2  HIS  76           HB2      HIS  76  -6.386  -8.100  -4.013
    4    HB3  HIS  76           HB3      HIS  76  -6.740  -8.643  -2.378
    5    HD1  HIS  76           HD1      HIS  76  -6.044  -5.047  -2.376
    6    HD2  HIS  76           HD2      HIS  76  -9.421  -7.405  -3.115
    7    HE1  HIS  76           HE1      HIS  76  -8.058  -3.497  -2.236

  No H/Q in entry =           7
  In of MODEL   53
    1    H    ALA  77           H        ALA  77  -4.692  -8.952  -0.549
    2    HA   ALA  77           HA       ALA  77  -5.508  -7.047   1.485
    3    HB1  ALA  77           HB1      ALA  77  -4.740  -9.946   1.466
    4    HB3  ALA  77           HB2      ALA  77  -6.228  -9.187   2.032
    5    HB2  ALA  77           HB3      ALA  77  -4.754  -9.061   2.993

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLN  78           H        GLN  78  -2.495  -8.752   0.561
    2    HA   GLN  78           HA       GLN  78  -0.904  -7.700   2.640
    3    HB2  GLN  78           HB2      GLN  78  -0.377  -9.641   1.053
    4    HB3  GLN  78           HB3      GLN  78   0.106  -8.413  -0.116
    5    HG2  GLN  78           HG2      GLN  78   1.711  -7.503   1.541
    6    HG3  GLN  78           HG3      GLN  78   1.264  -8.788   2.659
    7   HE21  GLN  78          HE21      GLN  78   3.950  -8.590   1.757
    8   HE22  GLN  78          HE22      GLN  78   4.282  -9.902   0.733

  No H/Q in entry =           8
  In of MODEL   53
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   53
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.201   1.163
    4    HB3  HIS  80           HB3      HIS  80  -5.386  -2.814   2.207
    5    HD1  HIS  80           HD1      HIS  80  -6.838  -1.064   1.216
    6    HD2  HIS  80           HD2      HIS  80  -4.925  -3.308  -1.732
    7    HE1  HIS  80           HE1      HIS  80  -7.692  -0.198  -1.014
    8    HE2  HIS  80           HE2      HIS  80  -6.532  -1.561  -2.820

  No H/Q in entry =           8
  In of MODEL   53
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   53
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   53
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   53
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   53
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   53
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   53
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   53
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   53
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   53
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   53
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   53
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   53
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   53
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   53
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.422 -20.432  -4.408
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.475
    5    HG2  GLU   5           HG2      GLU   5  10.900 -19.847  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.487 -19.331  -2.389

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   53
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   53
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   53
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.039 -16.706   0.859
    4    HB3  MET   9           HB3      MET   9  13.727 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.345 -16.603   2.251
    6    HG3  MET   9           HG3      MET   9  11.576 -17.026   0.554
    7    HE2  MET   9           HE1      MET   9  12.662 -19.255   4.336
    8    HE1  MET   9           HE2      MET   9  12.402 -17.532   4.076
    9    HE3  MET   9           HE3      MET   9  13.979 -18.240   3.736

  No H/Q in entry =           9
  In of MODEL   53
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   53
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.944   2.338
    4   HG12  ILE  12          HG12      ILE  12  10.815 -12.029   0.163
    5   HG13  ILE  12          HG13      ILE  12   9.368 -11.931   1.147
    6   HG23  ILE  12          HG21      ILE  12  10.815 -10.543   4.120
    7   HG22  ILE  12          HG22      ILE  12   9.488 -11.458   3.406
    8   HG21  ILE  12          HG23      ILE  12   9.705  -9.756   3.002
    9   HD12  ILE  12          HD11      ILE  12  10.671  -9.763  -0.494
   10   HD11  ILE  12          HD12      ILE  12   9.489  -9.405   0.753
   11   HD13  ILE  12          HD13      ILE  12   9.041 -10.408  -0.620

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.100 -11.637   3.844
    4   HG12  ILE  13          HG12      ILE  13  13.811 -12.620   4.668
    5   HG13  ILE  13          HG13      ILE  13  15.289 -13.527   4.965
    6   HG23  ILE  13          HG21      ILE  13  17.384 -10.430   5.416
    7   HG22  ILE  13          HG22      ILE  13  17.059 -11.963   6.224
    8   HG21  ILE  13          HG23      ILE  13  16.127 -10.528   6.649
    9   HD13  ILE  13          HD11      ILE  13  15.261 -13.092   7.240
   10   HD12  ILE  13          HD12      ILE  13  13.529 -13.063   6.916
   11   HD11  ILE  13          HD13      ILE  13  14.428 -11.552   7.037

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   53
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   53
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   53
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   53
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   53
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   53
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   53
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   53
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   53
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   53
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   53
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   53
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   53
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   53
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   53
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   53
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   53
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   53
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   53
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   53
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.317  -1.676  -5.684
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.657
    5    HD1  HIS  52           HD1      HIS  52  17.387  -2.085  -9.311
    6    HD2  HIS  52           HD2      HIS  52  14.062  -0.876  -7.107
    7    HE1  HIS  52           HE1      HIS  52  15.709  -1.187 -10.981
    8    HE2  HIS  52           HE2      HIS  52  13.676  -0.444  -9.653

  No H/Q in entry =           8
  In of MODEL   53
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   53
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   53
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   53
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.067
    4    HG1  THR  56           HG1      THR  56  17.152  -4.224 -10.415
    5   HG23  THR  56          HG21      THR  56  17.767  -4.189 -13.996
    6   HG22  THR  56          HG22      THR  56  16.222  -3.451 -13.578
    7   HG21  THR  56          HG23      THR  56  16.267  -5.078 -14.251

  No H/Q in entry =           7
  In of MODEL   53
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   53
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.834  -7.163 -12.525
    4   HG12  ILE  59          HG12      ILE  59   9.894  -7.037 -14.843
    5   HG13  ILE  59          HG13      ILE  59   9.521  -7.846 -13.329
    6   HG21  ILE  59          HG21      ILE  59  13.409  -6.455 -14.304
    7   HG23  ILE  59          HG22      ILE  59  12.108  -5.313 -14.085
    8   HG22  ILE  59          HG23      ILE  59  12.087  -6.409 -15.458
    9   HD12  ILE  59          HD11      ILE  59  10.082  -4.921 -13.780
   10   HD11  ILE  59          HD12      ILE  59  10.187  -5.646 -12.176
   11   HD13  ILE  59          HD13      ILE  59   8.656  -5.658 -13.051

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   53
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   53
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   53
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   53
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   53
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   53
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   53
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   53
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LEU  74           H        LEU  74   7.013 -13.171  -8.614
    2    HA   LEU  74           HA       LEU  74   8.959 -11.251  -8.146
    3    HB2  LEU  74           HB2      LEU  74   8.303 -11.942 -10.369
    4    HB3  LEU  74           HB3      LEU  74   6.673 -11.326 -10.126
    5    HG   LEU  74           HG       LEU  74   7.577  -9.034  -9.944
    6   HD13  LEU  74          HD11      LEU  74   9.762  -9.267  -9.112
    7   HD12  LEU  74          HD12      LEU  74  10.038  -8.850 -10.803
    8   HD11  LEU  74          HD13      LEU  74  10.177 -10.527 -10.273
    9   HD22  LEU  74          HD21      LEU  74   7.723  -8.754 -12.264
   10   HD21  LEU  74          HD22      LEU  74   7.040 -10.368 -12.184
   11   HD23  LEU  74          HD23      LEU  74   8.765 -10.161 -12.460

  No H/Q in entry =          11
  In of MODEL   53
    1    H    VAL  75           H        VAL  75   5.494 -11.047  -7.821
    2    HA   VAL  75           HA       VAL  75   5.359  -8.246  -7.294
    3    HB   VAL  75           HB       VAL  75   3.449 -10.473  -6.519
    4   HG13  VAL  75          HG11      VAL  75   2.697  -8.739  -5.197
    5   HG12  VAL  75          HG12      VAL  75   1.881  -8.315  -6.701
    6   HG11  VAL  75          HG13      VAL  75   3.377  -7.499  -6.250
    7   HG23  VAL  75          HG21      VAL  75   2.181  -9.634  -8.533
    8   HG22  VAL  75          HG22      VAL  75   3.733 -10.364  -8.939
    9   HG21  VAL  75          HG23      VAL  75   3.565  -8.610  -8.916

  No H/Q in entry =           9
  In of MODEL   53
    1    H    HIS  76           H        HIS  76   5.596 -11.192  -5.125
    2    HA   HIS  76           HA       HIS  76   5.324  -9.940  -2.644
    3    HB2  HIS  76           HB2      HIS  76   5.501 -12.426  -3.062
    4    HB3  HIS  76           HB3      HIS  76   7.245 -12.203  -3.213
    5    HD1  HIS  76           HD1      HIS  76   5.524  -9.997  -0.790
    6    HD2  HIS  76           HD2      HIS  76   7.523 -13.654  -0.695
    7    HE1  HIS  76           HE1      HIS  76   6.011 -10.483   1.646

  No H/Q in entry =           7
  In of MODEL   53
    1    H    ALA  77           H        ALA  77   8.233 -10.429  -4.623
    2    HA   ALA  77           HA       ALA  77   9.989  -9.121  -2.785
    3    HB2  ALA  77           HB1      ALA  77  10.170 -10.009  -5.642
    4    HB1  ALA  77           HB2      ALA  77  11.134 -10.507  -4.252
    5    HB3  ALA  77           HB3      ALA  77  11.409  -8.932  -4.995

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLN  78           H        GLN  78   8.192  -8.074  -5.661
    2    HA   GLN  78           HA       GLN  78   9.282  -5.467  -5.802
    3    HB2  GLN  78           HB2      GLN  78   7.897  -6.732  -7.559
    4    HB3  GLN  78           HB3      GLN  78   6.482  -6.219  -6.641
    5    HG2  GLN  78           HG2      GLN  78   7.206  -3.862  -6.878
    6    HG3  GLN  78           HG3      GLN  78   8.576  -4.394  -7.852
    7   HE21  GLN  78          HE21      GLN  78   6.640  -2.641  -8.975
    8   HE22  GLN  78          HE22      GLN  78   5.763  -3.485 -10.158

  No H/Q in entry =           8
  In of MODEL   53
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   53
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.155  -7.457  -0.514
    4    HB3  HIS  80           HB3      HIS  80  10.044  -6.566   0.723
    5    HD1  HIS  80           HD1      HIS  80   9.501  -7.174   3.065
    6    HD2  HIS  80           HD2      HIS  80   6.370  -8.118   0.478
    7    HE1  HIS  80           HE1      HIS  80   7.720  -8.309   4.475
    8    HE2  HIS  80           HE2      HIS  80   5.805  -8.889   2.908

  No H/Q in entry =           8
  In of MODEL   53
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   53
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   53
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   53
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   53
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   53
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   53
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   53
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   53
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   53
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   53
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   53
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   53
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   53
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   53
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.104  -6.381 -21.733
    4    HB3  GLU   5           HB3      GLU   5   0.421  -5.148 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.483  -4.497 -21.793
    6    HG3  GLU   5           HG3      GLU   5   2.164  -5.681 -20.528

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   53
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   53
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   53
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.432 -21.000
    4    HB3  MET   9           HB3      MET   9   4.424   1.170 -20.553
    5    HG2  MET   9           HG2      MET   9   5.230  -0.949 -19.660
    6    HG3  MET   9           HG3      MET   9   3.663  -1.703 -19.956
    7    HE2  MET   9           HE1      MET   9   6.949  -0.468 -22.803
    8    HE1  MET   9           HE2      MET   9   6.590   0.100 -21.174
    9    HE3  MET   9           HE3      MET   9   5.745   0.803 -22.551

  No H/Q in entry =           9
  In of MODEL   53
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   53
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.498   1.701 -15.883
    4   HG12  ILE  12          HG12      ILE  12   2.929   0.072 -15.299
    5   HG13  ILE  12          HG13      ILE  12   4.374  -0.530 -14.514
    6   HG23  ILE  12          HG21      ILE  12   6.264   2.506 -14.427
    7   HG22  ILE  12          HG22      ILE  12   6.286   0.742 -14.440
    8   HG21  ILE  12          HG23      ILE  12   5.598   1.605 -13.067
    9   HD12  ILE  12          HD11      ILE  12   2.028   0.892 -13.260
   10   HD11  ILE  12          HD12      ILE  12   3.556   0.671 -12.425
   11   HD13  ILE  12          HD13      ILE  12   2.622  -0.729 -12.939

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.808 -18.057
    4   HG12  ILE  13          HG12      ILE  13   5.835   3.931 -17.791
    5   HG13  ILE  13          HG13      ILE  13   5.630   4.709 -19.358
    6   HG23  ILE  13          HG21      ILE  13   4.745   8.046 -17.855
    7   HG22  ILE  13          HG22      ILE  13   5.822   7.360 -19.072
    8   HG21  ILE  13          HG23      ILE  13   6.384   7.569 -17.414
    9   HD13  ILE  13          HD11      ILE  13   7.635   5.856 -19.201
   10   HD12  ILE  13          HD12      ILE  13   8.039   4.433 -18.242
   11   HD11  ILE  13          HD13      ILE  13   7.571   5.932 -17.441

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   53
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   53
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   53
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   53
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   53
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   53
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   53
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   53
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   53
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   53
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   53
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   53
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   53
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   53
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   53
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   53
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   53
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   53
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   53
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   53
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.038  -8.752
    4    HB3  HIS  52           HB3      HIS  52  -7.532   7.692  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.723   6.128  -9.297
    6    HD2  HIS  52           HD2      HIS  52  -6.564   5.158  -6.758
    7    HE1  HIS  52           HE1      HIS  52 -10.683   4.622  -7.508
    8    HE2  HIS  52           HE2      HIS  52  -8.771   4.025  -5.944

  No H/Q in entry =           8
  In of MODEL   53
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   53
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   53
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   53
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.905   3.585 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.322   4.386 -10.850
    5   HG23  THR  56          HG21      THR  56 -13.823   3.344 -10.855
    6   HG22  THR  56          HG22      THR  56 -12.938   2.805  -9.429
    7   HG21  THR  56          HG23      THR  56 -13.286   1.670 -10.730

  No H/Q in entry =           7
  In of MODEL   53
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   53
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.663  -1.973 -10.404
    4   HG12  ILE  59          HG12      ILE  59 -10.938  -4.324  -9.004
    5   HG13  ILE  59          HG13      ILE  59  -9.345  -4.428  -9.736
    6   HG23  ILE  59          HG21      ILE  59 -11.914  -1.104 -10.317
    7   HG22  ILE  59          HG22      ILE  59 -11.497  -1.676  -8.723
    8   HG21  ILE  59          HG23      ILE  59 -12.554  -2.634  -9.748
    9   HD12  ILE  59          HD11      ILE  59 -10.236  -2.742  -7.419
   10   HD11  ILE  59          HD12      ILE  59  -8.842  -2.256  -8.383
   11   HD13  ILE  59          HD13      ILE  59  -8.834  -3.805  -7.540

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   53
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   53
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   53
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   53
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   53
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   53
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   53
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   53
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   53
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LEU  74           H        LEU  74  -3.314  -7.008 -13.425
    2    HA   LEU  74           HA       LEU  74  -3.950  -4.378 -12.836
    3    HB2  LEU  74           HB2      LEU  74  -5.594  -6.158 -12.860
    4    HB3  LEU  74           HB3      LEU  74  -4.794  -6.973 -11.522
    5    HG   LEU  74           HG       LEU  74  -5.323  -5.059 -10.052
    6   HD13  LEU  74          HD11      LEU  74  -5.433  -3.180 -11.458
    7   HD12  LEU  74          HD12      LEU  74  -7.129  -3.472 -11.075
    8   HD11  LEU  74          HD13      LEU  74  -6.473  -3.992 -12.627
    9   HD22  LEU  74          HD21      LEU  74  -7.514  -5.782  -9.655
   10   HD21  LEU  74          HD22      LEU  74  -6.940  -7.079 -10.689
   11   HD23  LEU  74          HD23      LEU  74  -7.922  -5.787 -11.370

  No H/Q in entry =          11
  In of MODEL   53
    1    H    VAL  75           H        VAL  75  -2.289  -6.749 -10.900
    2    HA   VAL  75           HA       VAL  75  -2.143  -5.206  -8.505
    3    HB   VAL  75           HB       VAL  75  -0.354  -7.457  -9.462
    4   HG13  VAL  75          HG11      VAL  75   0.878  -6.566  -7.720
    5   HG12  VAL  75          HG12      VAL  75  -0.211  -7.604  -6.800
    6   HG11  VAL  75          HG13      VAL  75  -0.541  -5.877  -6.931
    7   HG23  VAL  75          HG21      VAL  75  -1.797  -8.818  -7.899
    8   HG22  VAL  75          HG22      VAL  75  -2.674  -8.198  -9.298
    9   HG21  VAL  75          HG23      VAL  75  -2.847  -7.413  -7.730

  No H/Q in entry =           9
  In of MODEL   53
    1    H    HIS  76           H        HIS  76   0.134  -5.634 -11.340
    2    HA   HIS  76           HA       HIS  76   2.308  -4.170 -10.388
    3    HB2  HIS  76           HB2      HIS  76   1.928  -5.457 -12.662
    4    HB3  HIS  76           HB3      HIS  76   1.485  -3.852 -13.245
    5    HD1  HIS  76           HD1      HIS  76   4.247  -5.678 -13.663
    6    HD2  HIS  76           HD2      HIS  76   3.766  -2.115 -11.555
    7    HE1  HIS  76           HE1      HIS  76   6.542  -4.619 -13.515

  No H/Q in entry =           7
  In of MODEL   53
    1    H    ALA  77           H        ALA  77  -0.583  -3.036 -12.112
    2    HA   ALA  77           HA       ALA  77   0.176  -0.281 -12.074
    3    HB1  ALA  77           HB1      ALA  77  -2.340  -1.801 -12.658
    4    HB3  ALA  77           HB2      ALA  77  -1.417  -0.721 -13.702
    5    HB2  ALA  77           HB3      ALA  77  -2.433  -0.054 -12.424

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLN  78           H        GLN  78  -1.836  -2.315  -9.975
    2    HA   GLN  78           HA       GLN  78  -2.779  -0.229  -8.310
    3    HB2  GLN  78           HB2      GLN  78  -3.624  -2.648  -8.496
    4    HB3  GLN  78           HB3      GLN  78  -2.298  -3.071  -7.414
    5    HG2  GLN  78           HG2      GLN  78  -3.140  -1.417  -5.772
    6    HG3  GLN  78           HG3      GLN  78  -4.499  -1.072  -6.839
    7   HE21  GLN  78          HE21      GLN  78  -4.976  -2.099  -4.232
    8   HE22  GLN  78          HE22      GLN  78  -5.567  -3.684  -4.370

  No H/Q in entry =           8
  In of MODEL   53
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   53
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.326   0.878 -10.472
    4    HB3  HIS  80           HB3      HIS  80   2.951   2.517 -10.296
    5    HD1  HIS  80           HD1      HIS  80   5.356   2.776 -10.818
    6    HD2  HIS  80           HD2      HIS  80   4.468  -1.122  -9.640
    7    HE1  HIS  80           HE1      HIS  80   7.522   1.461 -10.991
    8    HE2  HIS  80           HE2      HIS  80   6.992  -0.919 -10.276

  No H/Q in entry =           8
  In of MODEL   53
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   53
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   53
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   53
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   53
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   53
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   53
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   53
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   53
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   53
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   53
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   53
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   53
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   53
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   53
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   53
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   53
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   53
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   53
    1    H    PHE   9           H        PHE   9 -21.274   0.632  -3.904
    2    HA   PHE   9           HA       PHE   9 -18.518   1.529  -4.541
    3    HB2  PHE   9           HB2      PHE   9 -20.337   2.447  -2.308
    4    HB3  PHE   9           HB3      PHE   9 -18.630   2.863  -2.439
    5    HD1  PHE   9           HD1      PHE   9 -21.986   3.481  -3.701
    6    HD2  PHE   9           HD2      PHE   9 -17.810   4.204  -4.383
    7    HE1  PHE   9           HE1      PHE   9 -22.561   5.325  -5.254
    8    HE2  PHE   9           HE2      PHE   9 -18.384   6.048  -5.940
    9    HZ   PHE   9           HZ       PHE   9 -20.760   6.609  -6.375

  No H/Q in entry =           9
  In of MODEL   53
    1    H    CYS  10           H        CYS  10 -16.902   0.918  -3.218
    2    HA   CYS  10           HA       CYS  10 -17.185  -0.749  -0.885
    3    HB2  CYS  10           HB2      CYS  10 -16.133  -2.714  -1.665
    4    HB3  CYS  10           HB3      CYS  10 -17.268  -2.310  -2.956

  No H/Q in entry =           4
  In of MODEL   53
    1    H    SER  11           H        SER  11 -14.472  -1.444  -0.336
    2    HA   SER  11           HA       SER  11 -13.454   1.143   0.042
    3    HB2  SER  11           HB2      SER  11 -12.550  -0.462   1.491
    4    HB3  SER  11           HB3      SER  11 -12.164  -1.567   0.188
    5    HG   SER  11           HG       SER  11 -10.930   0.721  -0.298

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA  12           H        ALA  12 -12.206  -1.348  -2.324
    2    HA   ALA  12           HA       ALA  12 -10.808   0.880  -3.646
    3    HB2  ALA  12           HB1      ALA  12  -9.953  -1.566  -4.739
    4    HB1  ALA  12           HB2      ALA  12 -10.095  -1.845  -3.004
    5    HB3  ALA  12           HB3      ALA  12  -9.072  -0.541  -3.606

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLY  13           H        GLY  13 -12.910  -1.890  -4.252
    2    HA3  GLY  13           HA2      GLY  13 -14.741  -1.513  -5.848
    3    HA2  GLY  13           HA3      GLY  13 -13.560  -0.719  -6.883

  No H/Q in entry =           3
  In of MODEL   53
    1    H    MET  14           H        MET  14 -12.689  -3.682  -5.169
    2    HA   MET  14           HA       MET  14 -12.533  -4.978  -7.812
    3    HB2  MET  14           HB2      MET  14 -10.449  -4.723  -6.421
    4    HB3  MET  14           HB3      MET  14 -11.159  -5.859  -5.274
    5    HG2  MET  14           HG2      MET  14 -11.361  -7.547  -7.060
    6    HG3  MET  14           HG3      MET  14 -10.662  -6.414  -8.215
    7    HE2  MET  14           HE1      MET  14  -8.016  -7.896  -8.751
    8    HE1  MET  14           HE2      MET  14  -9.614  -8.608  -8.550
    9    HE3  MET  14           HE3      MET  14  -8.243  -9.274  -7.668

  No H/Q in entry =           9
  In of MODEL   53
    1    H    SER  15           H        SER  15 -12.851  -6.322  -4.546
    2    HA   SER  15           HA       SER  15 -14.093  -8.663  -5.207
    3    HB2  SER  15           HB2      SER  15 -13.442  -7.729  -2.873
    4    HB3  SER  15           HB3      SER  15 -15.109  -7.154  -2.828
    5    HG   SER  15           HG       SER  15 -15.730  -9.330  -3.342

  No H/Q in entry =           5
  In of MODEL   53
    1    H    THR  16           H        THR  16 -15.514  -5.474  -5.466
    2    HA   THR  16           HA       THR  16 -18.199  -6.685  -5.635
    3    HB   THR  16           HB       THR  16 -17.444  -3.769  -5.942
    4    HG1  THR  16           HG1      THR  16 -16.871  -4.684  -3.888
    5   HG21  THR  16          HG21      THR  16 -20.009  -5.312  -5.629
    6   HG23  THR  16          HG22      THR  16 -19.612  -4.047  -6.793
    7   HG22  THR  16          HG23      THR  16 -19.909  -3.630  -5.104

  No H/Q in entry =           7
  In of MODEL   53
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   53
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   53
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   53
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   53
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   53
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   53
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   53
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   53
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   53
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   53
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   53
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   53
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   53
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   53
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   53
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   53
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   53
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   53
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   53
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   53
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   53
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   53
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   53
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   53
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   53
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   53
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   53
    1    HA   PRO  58           HA       PRO  58 -23.312  -4.438   3.147
    2    HB2  PRO  58           HB2      PRO  58 -22.051  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.075   1.794
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.698   1.164
    6    HD2  PRO  58           HD2      PRO  58 -21.015  -5.618  -0.003
    7    HD3  PRO  58           HD3      PRO  58 -22.790  -5.736  -0.013

  No H/Q in entry =           7
  In of MODEL   53
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   53
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   53
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   53
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   53
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   53
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   53
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   53
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   53
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   53
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   53
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   53
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   53
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   53
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   53
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   53
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   53
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   53
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   53
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   53
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   53
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   53
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   53
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   53
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   53
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   53
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   53
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   53
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   53
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   53
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   53
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   53
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   53
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   53
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   53
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   53
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   53
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   53
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   54
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   54
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.287 -14.281  -2.731
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.930  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.574 -11.558  -2.349
    6    HG3  GLU   5           HG3      GLU   5 -13.138 -11.874  -3.323

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   54
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   54
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   54
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.711  -8.426   1.551
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.704   1.334
    5    HG2  MET   9           HG2      MET   9 -14.284  -6.807  -0.976
    6    HG3  MET   9           HG3      MET   9 -13.795  -8.490  -0.781
    7    HE3  MET   9           HE1      MET   9 -17.342  -6.719   0.527
    8    HE2  MET   9           HE2      MET   9 -17.866  -6.597  -1.149
    9    HE1  MET   9           HE3      MET   9 -16.334  -5.889  -0.661

  No H/Q in entry =           9
  In of MODEL   54
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   54
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.383   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.250  -6.174   0.966
    5   HG13  ILE  12          HG13      ILE  12  -9.696  -5.421  -0.553
    6   HG23  ILE  12          HG21      ILE  12 -10.226  -2.983  -0.605
    7   HG22  ILE  12          HG22      ILE  12  -8.741  -2.579   0.257
    8   HG21  ILE  12          HG23      ILE  12 -10.310  -2.073   0.897
    9   HD13  ILE  12          HD11      ILE  12  -7.312  -5.660  -0.572
   10   HD12  ILE  12          HD12      ILE  12  -7.175  -5.033   1.061
   11   HD11  ILE  12          HD13      ILE  12  -7.641  -3.965  -0.255

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.235
    4   HG12  ILE  13          HG12      ILE  13 -13.493  -3.069   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.922  -3.525   3.577
    6   HG23  ILE  13          HG21      ILE  13 -13.739  -1.852   6.738
    7   HG22  ILE  13          HG22      ILE  13 -15.159  -1.869   5.691
    8   HG21  ILE  13          HG23      ILE  13 -13.896  -0.661   5.445
    9   HD13  ILE  13          HD11      ILE  13 -15.797  -1.371   3.550
   10   HD12  ILE  13          HD12      ILE  13 -14.942  -1.383   2.013
   11   HD11  ILE  13          HD13      ILE  13 -14.207  -0.623   3.421

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   54
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   54
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   54
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   54
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   54
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   54
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   54
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   54
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   54
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   54
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   54
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   54
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   54
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   54
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   54
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   54
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   54
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   54
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   54
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   54
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.938  -6.672  10.556
    4    HB3  HIS  52           HB3      HIS  52  -1.116  -7.739  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.223 -10.054  11.826
    6    HD2  HIS  52           HD2      HIS  52   1.282  -7.229   8.950
    7    HE1  HIS  52           HE1      HIS  52   2.438 -10.813  10.859
    8    HE2  HIS  52           HE2      HIS  52   3.098  -9.100   9.104

  No H/Q in entry =           8
  In of MODEL   54
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   54
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   54
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   54
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.220  10.983
    4    HG1  THR  56           HG1      THR  56  -0.749 -12.088  10.685
    5   HG22  THR  56          HG21      THR  56   1.855 -14.278  10.507
    6   HG21  THR  56          HG22      THR  56   0.939 -15.689   9.982
    7   HG23  THR  56          HG23      THR  56   0.880 -15.179  11.667

  No H/Q in entry =           7
  In of MODEL   54
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   54
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.911
    4   HG12  ILE  59          HG12      ILE  59   2.367 -16.266   3.427
    5   HG13  ILE  59          HG13      ILE  59   1.138 -15.308   2.616
    6   HG21  ILE  59          HG21      ILE  59   1.116 -16.013   6.801
    7   HG23  ILE  59          HG22      ILE  59   2.391 -15.065   6.082
    8   HG22  ILE  59          HG23      ILE  59   2.279 -16.783   5.737
    9   HD13  ILE  59          HD11      ILE  59   2.985 -13.846   2.734
   10   HD12  ILE  59          HD12      ILE  59   3.387 -14.355   4.374
   11   HD11  ILE  59          HD13      ILE  59   1.969 -13.348   4.086

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   54
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   54
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   54
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   54
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   54
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   54
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   54
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   54
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LEU  74           H        LEU  74  -4.199 -13.636  -2.386
    2    HA   LEU  74           HA       LEU  74  -3.784 -12.462   0.113
    3    HB2  LEU  74           HB2      LEU  74  -2.864 -14.619  -0.559
    4    HB3  LEU  74           HB3      LEU  74  -1.857 -13.836  -1.772
    5    HG   LEU  74           HG       LEU  74  -0.672 -12.616   0.026
    6   HD12  LEU  74          HD11      LEU  74  -1.094 -13.626   2.385
    7   HD11  LEU  74          HD12      LEU  74  -2.645 -14.141   1.724
    8   HD13  LEU  74          HD13      LEU  74  -2.238 -12.426   1.785
    9   HD23  LEU  74          HD21      LEU  74  -0.628 -15.533   0.794
   10   HD22  LEU  74          HD22      LEU  74   0.716 -14.432   0.552
   11   HD21  LEU  74          HD23      LEU  74  -0.161 -15.061  -0.838

  No H/Q in entry =          11
  In of MODEL   54
    1    H    VAL  75           H        VAL  75  -2.645 -11.584  -3.042
    2    HA   VAL  75           HA       VAL  75  -0.687  -9.673  -2.235
    3    HB   VAL  75           HB       VAL  75  -2.211 -10.094  -4.817
    4   HG13  VAL  75          HG11      VAL  75  -1.687  -7.733  -4.704
    5   HG12  VAL  75          HG12      VAL  75  -0.541  -8.495  -5.805
    6   HG11  VAL  75          HG13      VAL  75  -0.044  -8.078  -4.167
    7   HG21  VAL  75          HG21      VAL  75  -0.520 -11.810  -4.191
    8   HG23  VAL  75          HG22      VAL  75   0.700 -10.545  -4.055
    9   HG22  VAL  75          HG23      VAL  75  -0.026 -10.903  -5.620

  No H/Q in entry =           9
  In of MODEL   54
    1    H    HIS  76           H        HIS  76  -4.383  -9.290  -3.342
    2    HA   HIS  76           HA       HIS  76  -4.701  -6.514  -3.168
    3    HB2  HIS  76           HB2      HIS  76  -6.446  -8.097  -4.044
    4    HB3  HIS  76           HB3      HIS  76  -6.798  -8.566  -2.386
    5    HD1  HIS  76           HD1      HIS  76  -6.022  -4.958  -2.779
    6    HD2  HIS  76           HD2      HIS  76  -9.465  -7.333  -2.908
    7    HE1  HIS  76           HE1      HIS  76  -8.006  -3.371  -2.622

  No H/Q in entry =           7
  In of MODEL   54
    1    H    ALA  77           H        ALA  77  -4.697  -8.978  -0.656
    2    HA   ALA  77           HA       ALA  77  -5.510  -7.144   1.432
    3    HB2  ALA  77           HB1      ALA  77  -6.162  -9.364   1.845
    4    HB1  ALA  77           HB2      ALA  77  -4.773  -9.133   2.907
    5    HB3  ALA  77           HB3      ALA  77  -4.585 -10.013   1.391

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLN  78           H        GLN  78  -2.446  -8.800   0.529
    2    HA   GLN  78           HA       GLN  78  -0.915  -7.710   2.623
    3    HB2  GLN  78           HB2      GLN  78  -0.326  -9.643   1.048
    4    HB3  GLN  78           HB3      GLN  78   0.168  -8.408  -0.109
    5    HG2  GLN  78           HG2      GLN  78   1.728  -7.481   1.572
    6    HG3  GLN  78           HG3      GLN  78   1.262  -8.754   2.696
    7   HE21  GLN  78          HE21      GLN  78   3.800  -9.090   2.386
    8   HE22  GLN  78          HE22      GLN  78   4.237 -10.183   1.164

  No H/Q in entry =           8
  In of MODEL   54
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   54
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.175
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.804   2.201
    5    HD1  HIS  80           HD1      HIS  80  -6.679  -0.930   1.171
    6    HD2  HIS  80           HD2      HIS  80  -5.076  -3.477  -1.714
    7    HE1  HIS  80           HE1      HIS  80  -7.566  -0.126  -1.069
    8    HE2  HIS  80           HE2      HIS  80  -6.595  -1.674  -2.837

  No H/Q in entry =           8
  In of MODEL   54
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   54
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   54
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   54
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   54
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   54
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   54
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   54
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   54
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   54
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   54
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   54
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   54
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   54
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   54
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.421 -20.431  -4.407
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.477
    5    HG2  GLU   5           HG2      GLU   5  10.903 -19.845  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.487 -19.333  -2.387

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   54
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   54
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   54
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.036 -16.707   0.857
    4    HB3  MET   9           HB3      MET   9  13.730 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.346 -16.600   2.256
    6    HG3  MET   9           HG3      MET   9  11.573 -17.026   0.559
    7    HE3  MET   9           HE1      MET   9  13.927 -18.212   3.781
    8    HE2  MET   9           HE2      MET   9  12.634 -19.270   4.341
    9    HE1  MET   9           HE3      MET   9  12.317 -17.554   4.093

  No H/Q in entry =           9
  In of MODEL   54
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   54
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.312
    4   HG12  ILE  12          HG12      ILE  12  10.853 -11.578  -0.010
    5   HG13  ILE  12          HG13      ILE  12   9.629 -12.250   1.048
    6   HG22  ILE  12          HG21      ILE  12   9.509 -11.472   3.422
    7   HG21  ILE  12          HG22      ILE  12   9.736  -9.760   3.064
    8   HG23  ILE  12          HG23      ILE  12  10.859 -10.595   4.137
    9   HD13  ILE  12          HD11      ILE  12   8.554 -10.534  -0.208
   10   HD12  ILE  12          HD12      ILE  12   9.894  -9.425   0.026
   11   HD11  ILE  12          HD13      ILE  12   8.852  -9.842   1.380

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.813 -12.622   4.658
    5   HG13  ILE  13          HG13      ILE  13  15.291 -13.528   4.961
    6   HG23  ILE  13          HG21      ILE  13  17.394 -10.451   5.418
    7   HG22  ILE  13          HG22      ILE  13  17.037 -11.967   6.244
    8   HG21  ILE  13          HG23      ILE  13  16.125 -10.510   6.641
    9   HD13  ILE  13          HD11      ILE  13  15.248 -13.099   7.236
   10   HD12  ILE  13          HD12      ILE  13  13.518 -13.065   6.903
   11   HD11  ILE  13          HD13      ILE  13  14.420 -11.556   7.032

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   54
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   54
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   54
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   54
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   54
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   54
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   54
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   54
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   54
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   54
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   54
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   54
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   54
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   54
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   54
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   54
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   54
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   54
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   54
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   54
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.305  -1.676  -5.690
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.644
    5    HD1  HIS  52           HD1      HIS  52  17.459  -1.997  -9.292
    6    HD2  HIS  52           HD2      HIS  52  14.032  -0.967  -7.154
    7    HE1  HIS  52           HE1      HIS  52  15.793  -1.123 -10.987
    8    HE2  HIS  52           HE2      HIS  52  13.698  -0.489  -9.700

  No H/Q in entry =           8
  In of MODEL   54
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   54
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   54
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   54
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.065
    4    HG1  THR  56           HG1      THR  56  17.111  -4.236 -10.404
    5   HG22  THR  56          HG21      THR  56  16.202  -3.466 -13.595
    6   HG21  THR  56          HG22      THR  56  16.302  -5.094 -14.265
    7   HG23  THR  56          HG23      THR  56  17.773  -4.171 -13.971

  No H/Q in entry =           7
  In of MODEL   54
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   54
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.837  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.887  -7.059 -14.838
    5   HG13  ILE  59          HG13      ILE  59   9.521  -7.836 -13.306
    6   HG21  ILE  59          HG21      ILE  59  13.406  -6.455 -14.310
    7   HG23  ILE  59          HG22      ILE  59  12.106  -5.313 -14.088
    8   HG22  ILE  59          HG23      ILE  59  12.081  -6.409 -15.459
    9   HD13  ILE  59          HD11      ILE  59   8.667  -5.655 -13.035
   10   HD12  ILE  59          HD12      ILE  59  10.056  -4.923 -13.838
   11   HD11  ILE  59          HD13      ILE  59  10.229  -5.599 -12.218

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   54
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   54
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   54
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   54
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   54
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   54
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   54
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   54
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LEU  74           H        LEU  74   6.934 -13.100  -8.615
    2    HA   LEU  74           HA       LEU  74   8.862 -11.145  -8.085
    3    HB2  LEU  74           HB2      LEU  74   8.210 -11.834 -10.330
    4    HB3  LEU  74           HB3      LEU  74   6.585 -11.205 -10.079
    5    HG   LEU  74           HG       LEU  74   7.529  -8.927  -9.831
    6   HD12  LEU  74          HD11      LEU  74   9.971  -8.742 -10.698
    7   HD11  LEU  74          HD12      LEU  74  10.098 -10.448 -10.273
    8   HD13  LEU  74          HD13      LEU  74   9.729  -9.253  -9.029
    9   HD23  LEU  74          HD21      LEU  74   8.630 -10.054 -12.406
   10   HD22  LEU  74          HD22      LEU  74   7.706  -8.586 -12.146
   11   HD21  LEU  74          HD23      LEU  74   6.900 -10.148 -12.084

  No H/Q in entry =          11
  In of MODEL   54
    1    H    VAL  75           H        VAL  75   5.399 -11.109  -7.751
    2    HA   VAL  75           HA       VAL  75   5.059  -8.346  -7.195
    3    HB   VAL  75           HB       VAL  75   3.417 -10.795  -6.523
    4   HG13  VAL  75          HG11      VAL  75   2.997  -9.171  -4.761
    5   HG12  VAL  75          HG12      VAL  75   1.621  -9.176  -5.863
    6   HG11  VAL  75          HG13      VAL  75   2.812  -7.879  -5.947
    7   HG21  VAL  75          HG21      VAL  75   3.512 -10.087  -8.902
    8   HG23  VAL  75          HG22      VAL  75   2.979  -8.472  -8.439
    9   HG22  VAL  75          HG23      VAL  75   1.900  -9.850  -8.227

  No H/Q in entry =           9
  In of MODEL   54
    1    H    HIS  76           H        HIS  76   5.550 -11.240  -4.986
    2    HA   HIS  76           HA       HIS  76   5.343  -9.896  -2.533
    3    HB2  HIS  76           HB2      HIS  76   5.589 -12.440  -3.029
    4    HB3  HIS  76           HB3      HIS  76   7.322 -12.120  -2.934
    5    HD1  HIS  76           HD1      HIS  76   7.979 -12.932  -0.654
    6    HD2  HIS  76           HD2      HIS  76   4.499 -10.637  -0.536
    7    HE1  HIS  76           HE1      HIS  76   7.393 -12.643   1.793

  No H/Q in entry =           7
  In of MODEL   54
    1    H    ALA  77           H        ALA  77   8.170 -10.453  -4.623
    2    HA   ALA  77           HA       ALA  77  10.019  -9.163  -2.878
    3    HB1  ALA  77           HB1      ALA  77  11.011 -10.604  -4.437
    4    HB3  ALA  77           HB2      ALA  77  11.382  -9.006  -5.082
    5    HB2  ALA  77           HB3      ALA  77  10.072  -9.955  -5.783

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLN  78           H        GLN  78   8.142  -8.056  -5.697
    2    HA   GLN  78           HA       GLN  78   9.285  -5.463  -5.799
    3    HB2  GLN  78           HB2      GLN  78   7.892  -6.682  -7.584
    4    HB3  GLN  78           HB3      GLN  78   6.479  -6.157  -6.669
    5    HG2  GLN  78           HG2      GLN  78   7.227  -3.813  -6.874
    6    HG3  GLN  78           HG3      GLN  78   8.617  -4.343  -7.819
    7   HE21  GLN  78          HE21      GLN  78   7.364  -2.744  -9.400
    8   HE22  GLN  78          HE22      GLN  78   6.241  -3.486 -10.435

  No H/Q in entry =           8
  In of MODEL   54
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   54
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.169  -7.451  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.038  -6.564   0.737
    5    HD1  HIS  80           HD1      HIS  80   9.384  -7.031   3.097
    6    HD2  HIS  80           HD2      HIS  80   6.459  -8.289   0.406
    7    HE1  HIS  80           HE1      HIS  80   7.609  -8.224   4.468
    8    HE2  HIS  80           HE2      HIS  80   5.820  -8.996   2.837

  No H/Q in entry =           8
  In of MODEL   54
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   54
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   54
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   54
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   54
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   54
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   54
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   54
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   54
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   54
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   54
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   54
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   54
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   54
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   54
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.106  -6.382 -21.731
    4    HB3  GLU   5           HB3      GLU   5   0.420  -5.149 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.482  -4.494 -21.793
    6    HG3  GLU   5           HG3      GLU   5   2.166  -5.681 -20.531

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   54
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   54
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   54
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.434 -21.000
    4    HB3  MET   9           HB3      MET   9   4.425   1.170 -20.552
    5    HG2  MET   9           HG2      MET   9   5.225  -0.952 -19.656
    6    HG3  MET   9           HG3      MET   9   3.659  -1.704 -19.962
    7    HE3  MET   9           HE1      MET   9   5.777   0.804 -22.516
    8    HE2  MET   9           HE2      MET   9   6.957  -0.473 -22.801
    9    HE1  MET   9           HE3      MET   9   6.624   0.057 -21.154

  No H/Q in entry =           9
  In of MODEL   54
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   54
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.477   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.669   0.275 -14.901
    5   HG13  ILE  12          HG13      ILE  12   4.217  -0.542 -14.947
    6   HG22  ILE  12          HG21      ILE  12   6.292   0.754 -14.462
    7   HG21  ILE  12          HG22      ILE  12   5.638   1.650 -13.091
    8   HG23  ILE  12          HG23      ILE  12   6.269   2.517 -14.489
    9   HD13  ILE  12          HD11      ILE  12   3.276  -1.008 -12.809
   10   HD12  ILE  12          HD12      ILE  12   2.795   0.664 -12.577
   11   HD11  ILE  12          HD13      ILE  12   4.497   0.224 -12.534

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.812 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.825   3.928 -17.792
    5   HG13  ILE  13          HG13      ILE  13   5.625   4.708 -19.358
    6   HG23  ILE  13          HG21      ILE  13   4.745   8.044 -17.881
    7   HG22  ILE  13          HG22      ILE  13   5.853   7.349 -19.065
    8   HG21  ILE  13          HG23      ILE  13   6.374   7.574 -17.396
    9   HD13  ILE  13          HD11      ILE  13   7.636   5.843 -19.201
   10   HD12  ILE  13          HD12      ILE  13   8.032   4.419 -18.240
   11   HD11  ILE  13          HD13      ILE  13   7.570   5.921 -17.441

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   54
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   54
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   54
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   54
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   54
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   54
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   54
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   54
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   54
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   54
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   54
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   54
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   54
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   54
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   54
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   54
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   54
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   54
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   54
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   54
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.027  -8.745
    4    HB3  HIS  52           HB3      HIS  52  -7.521   7.698  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.745   6.226  -9.266
    6    HD2  HIS  52           HD2      HIS  52  -6.581   5.079  -6.808
    7    HE1  HIS  52           HE1      HIS  52 -10.728   4.708  -7.501
    8    HE2  HIS  52           HE2      HIS  52  -8.813   4.003  -5.986

  No H/Q in entry =           8
  In of MODEL   54
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   54
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   54
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   54
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.902   3.587 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.302   4.362 -10.841
    5   HG22  THR  56          HG21      THR  56 -12.947   2.781  -9.430
    6   HG21  THR  56          HG22      THR  56 -13.306   1.678 -10.758
    7   HG23  THR  56          HG23      THR  56 -13.809   3.364 -10.853

  No H/Q in entry =           7
  In of MODEL   54
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   54
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.663  -1.972 -10.404
    4   HG12  ILE  59          HG12      ILE  59 -10.931  -4.347  -9.031
    5   HG13  ILE  59          HG13      ILE  59  -9.319  -4.407  -9.725
    6   HG23  ILE  59          HG21      ILE  59 -11.917  -1.107 -10.320
    7   HG22  ILE  59          HG22      ILE  59 -11.496  -1.672  -8.725
    8   HG21  ILE  59          HG23      ILE  59 -12.552  -2.637  -9.743
    9   HD13  ILE  59          HD11      ILE  59  -8.867  -3.789  -7.517
   10   HD12  ILE  59          HD12      ILE  59 -10.305  -2.775  -7.411
   11   HD11  ILE  59          HD13      ILE  59  -8.909  -2.229  -8.338

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   54
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   54
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   54
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   54
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   54
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   54
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   54
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   54
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   54
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LEU  74           H        LEU  74  -3.293  -7.034 -13.317
    2    HA   LEU  74           HA       LEU  74  -3.872  -4.373 -12.698
    3    HB2  LEU  74           HB2      LEU  74  -5.535  -6.161 -12.719
    4    HB3  LEU  74           HB3      LEU  74  -4.734  -6.959 -11.372
    5    HG   LEU  74           HG       LEU  74  -5.218  -4.990  -9.945
    6   HD12  LEU  74          HD11      LEU  74  -7.023  -3.424 -10.958
    7   HD11  LEU  74          HD12      LEU  74  -6.459  -4.017 -12.519
    8   HD13  LEU  74          HD13      LEU  74  -5.349  -3.167 -11.445
    9   HD23  LEU  74          HD21      LEU  74  -7.832  -5.817 -11.212
   10   HD22  LEU  74          HD22      LEU  74  -7.426  -5.660  -9.511
   11   HD21  LEU  74          HD23      LEU  74  -6.821  -7.032 -10.432

  No H/Q in entry =          11
  In of MODEL   54
    1    H    VAL  75           H        VAL  75  -2.169  -6.822 -10.912
    2    HA   VAL  75           HA       VAL  75  -1.908  -5.451  -8.441
    3    HB   VAL  75           HB       VAL  75  -0.293  -7.653  -9.731
    4   HG13  VAL  75          HG11      VAL  75   1.237  -6.394  -8.313
    5   HG12  VAL  75          HG12      VAL  75   0.804  -7.892  -7.491
    6   HG11  VAL  75          HG13      VAL  75   0.056  -6.372  -7.004
    7   HG21  VAL  75          HG21      VAL  75  -2.586  -8.206  -8.936
    8   HG23  VAL  75          HG22      VAL  75  -2.172  -7.586  -7.337
    9   HG22  VAL  75          HG23      VAL  75  -1.355  -9.015  -7.967

  No H/Q in entry =           9
  In of MODEL   54
    1    H    HIS  76           H        HIS  76   0.286  -5.626 -11.376
    2    HA   HIS  76           HA       HIS  76   2.389  -4.064 -10.368
    3    HB2  HIS  76           HB2      HIS  76   2.255  -5.383 -12.587
    4    HB3  HIS  76           HB3      HIS  76   1.518  -3.922 -13.245
    5    HD1  HIS  76           HD1      HIS  76   3.402  -2.919 -14.583
    6    HD2  HIS  76           HD2      HIS  76   4.613  -4.004 -10.745
    7    HE1  HIS  76           HE1      HIS  76   5.765  -2.051 -14.305

  No H/Q in entry =           7
  In of MODEL   54
    1    H    ALA  77           H        ALA  77  -0.560  -3.097 -12.092
    2    HA   ALA  77           HA       ALA  77   0.080  -0.320 -12.121
    3    HB1  ALA  77           HB1      ALA  77  -1.528  -0.965 -13.703
    4    HB2  ALA  77           HB2      ALA  77  -2.486  -0.139 -12.476
    5    HB3  ALA  77           HB3      ALA  77  -2.453  -1.901 -12.528

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLN  78           H        GLN  78  -1.849  -2.358  -9.932
    2    HA   GLN  78           HA       GLN  78  -2.781  -0.227  -8.308
    3    HB2  GLN  78           HB2      GLN  78  -3.650  -2.642  -8.449
    4    HB3  GLN  78           HB3      GLN  78  -2.326  -3.057  -7.360
    5    HG2  GLN  78           HG2      GLN  78  -3.150  -1.376  -5.744
    6    HG3  GLN  78           HG3      GLN  78  -4.498  -1.016  -6.819
    7   HE21  GLN  78          HE21      GLN  78  -5.625  -1.806  -4.641
    8   HE22  GLN  78          HE22      GLN  78  -5.985  -3.463  -4.577

  No H/Q in entry =           8
  In of MODEL   54
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   54
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.315   0.892 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.968   2.520 -10.292
    5    HD1  HIS  80           HD1      HIS  80   5.428   2.780 -10.590
    6    HD2  HIS  80           HD2      HIS  80   4.372  -1.188  -9.874
    7    HE1  HIS  80           HE1      HIS  80   7.557   1.415 -10.825
    8    HE2  HIS  80           HE2      HIS  80   6.925  -1.008 -10.392

  No H/Q in entry =           8
  In of MODEL   54
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   54
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   54
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   54
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   54
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   54
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   54
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   54
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   54
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   54
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   54
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   54
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   54
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   54
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   54
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   54
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   54
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   54
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   54
    1    H    PHE   9           H        PHE   9 -21.291   0.639  -3.911
    2    HA   PHE   9           HA       PHE   9 -18.533   1.541  -4.534
    3    HB2  PHE   9           HB2      PHE   9 -20.367   2.453  -2.310
    4    HB3  PHE   9           HB3      PHE   9 -18.660   2.874  -2.432
    5    HD1  PHE   9           HD1      PHE   9 -22.011   3.468  -3.731
    6    HD2  PHE   9           HD2      PHE   9 -17.832   4.234  -4.351
    7    HE1  PHE   9           HE1      PHE   9 -22.582   5.311  -5.287
    8    HE2  PHE   9           HE2      PHE   9 -18.403   6.077  -5.911
    9    HZ   PHE   9           HZ       PHE   9 -20.778   6.616  -6.378

  No H/Q in entry =           9
  In of MODEL   54
    1    H    CYS  10           H        CYS  10 -16.931   0.934  -3.212
    2    HA   CYS  10           HA       CYS  10 -17.195  -0.733  -0.878
    3    HB2  CYS  10           HB2      CYS  10 -16.111  -2.687  -1.659
    4    HB3  CYS  10           HB3      CYS  10 -17.274  -2.306  -2.933

  No H/Q in entry =           4
  In of MODEL   54
    1    H    SER  11           H        SER  11 -14.438  -1.438  -0.401
    2    HA   SER  11           HA       SER  11 -13.472   1.188  -0.014
    3    HB2  SER  11           HB2      SER  11 -11.197  -0.193   0.246
    4    HB3  SER  11           HB3      SER  11 -12.436  -0.211   1.482
    5    HG   SER  11           HG       SER  11 -12.702  -2.249   1.091

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA  12           H        ALA  12 -12.196  -1.339  -2.332
    2    HA   ALA  12           HA       ALA  12 -10.803   0.890  -3.659
    3    HB1  ALA  12           HB1      ALA  12 -10.074  -1.826  -2.987
    4    HB3  ALA  12           HB2      ALA  12  -9.051  -0.511  -3.562
    5    HB2  ALA  12           HB3      ALA  12  -9.888  -1.545  -4.718

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLY  13           H        GLY  13 -12.983  -1.825  -4.220
    2    HA3  GLY  13           HA2      GLY  13 -14.752  -1.511  -5.865
    3    HA2  GLY  13           HA3      GLY  13 -13.565  -0.713  -6.890

  No H/Q in entry =           3
  In of MODEL   54
    1    H    MET  14           H        MET  14 -12.684  -3.672  -5.164
    2    HA   MET  14           HA       MET  14 -12.521  -4.975  -7.803
    3    HB2  MET  14           HB2      MET  14 -10.451  -4.726  -6.364
    4    HB3  MET  14           HB3      MET  14 -11.179  -5.899  -5.266
    5    HG2  MET  14           HG2      MET  14 -11.506  -7.316  -7.461
    6    HG3  MET  14           HG3      MET  14 -10.217  -6.289  -8.085
    7    HE3  MET  14           HE1      MET  14  -7.798  -7.376  -8.022
    8    HE2  MET  14           HE2      MET  14  -7.101  -7.175  -6.417
    9    HE1  MET  14           HE3      MET  14  -8.087  -5.891  -7.109

  No H/Q in entry =           9
  In of MODEL   54
    1    H    SER  15           H        SER  15 -12.853  -6.308  -4.546
    2    HA   SER  15           HA       SER  15 -14.093  -8.648  -5.197
    3    HB2  SER  15           HB2      SER  15 -15.126  -7.146  -2.823
    4    HB3  SER  15           HB3      SER  15 -14.755  -8.863  -2.988
    5    HG   SER  15           HG       SER  15 -12.664  -8.451  -2.746

  No H/Q in entry =           5
  In of MODEL   54
    1    H    THR  16           H        THR  16 -15.522  -5.469  -5.456
    2    HA   THR  16           HA       THR  16 -18.205  -6.681  -5.637
    3    HB   THR  16           HB       THR  16 -17.452  -3.765  -5.946
    4    HG1  THR  16           HG1      THR  16 -16.991  -4.962  -3.862
    5   HG23  THR  16          HG21      THR  16 -19.618  -4.055  -6.801
    6   HG22  THR  16          HG22      THR  16 -19.915  -3.622  -5.116
    7   HG21  THR  16          HG23      THR  16 -20.016  -5.308  -5.624

  No H/Q in entry =           7
  In of MODEL   54
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   54
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   54
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   54
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   54
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   54
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   54
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   54
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   54
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   54
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   54
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   54
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   54
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   54
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   54
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   54
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   54
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   54
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   54
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   54
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   54
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   54
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   54
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   54
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   54
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   54
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   54
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   54
    1    HA   PRO  58           HA       PRO  58 -23.310  -4.436   3.149
    2    HB2  PRO  58           HB2      PRO  58 -22.053  -6.860   3.697
    3    HB3  PRO  58           HB3      PRO  58 -23.564  -6.666   2.791
    4    HG2  PRO  58           HG2      PRO  58 -20.797  -7.079   1.791
    5    HG3  PRO  58           HG3      PRO  58 -22.333  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.020  -5.615  -0.008
    7    HD3  PRO  58           HD3      PRO  58 -22.794  -5.739  -0.008

  No H/Q in entry =           7
  In of MODEL   54
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   54
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   54
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   54
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   54
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   54
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   54
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   54
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   54
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   54
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   54
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   54
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   54
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   54
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   54
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   54
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   54
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   54
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   54
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   54
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   54
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   54
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   54
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   54
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   54
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   54
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   54
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   54
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   54
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   54
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   54
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   54
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   54
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   54
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   54
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   54
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   54
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   54
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   55
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   55
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.290 -14.287  -2.726
    4    HB3  GLU   5           HB3      GLU   5 -14.697 -13.923  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.556 -11.552  -2.358
    6    HG3  GLU   5           HG3      GLU   5 -13.127 -11.887  -3.335

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   55
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   55
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   55
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.705  -8.436   1.537
    4    HB3  MET   9           HB3      MET   9 -15.031  -6.712   1.351
    5    HG2  MET   9           HG2      MET   9 -14.202  -6.799  -0.967
    6    HG3  MET   9           HG3      MET   9 -13.868  -8.521  -0.786
    7    HE1  MET   9           HE1      MET   9 -16.203  -5.766  -0.310
    8    HE3  MET   9           HE2      MET   9 -17.840  -6.358  -0.572
    9    HE2  MET   9           HE3      MET   9 -16.806  -6.016  -1.950

  No H/Q in entry =           9
  In of MODEL   55
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   55
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.943  -4.386   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.232  -6.169   0.971
    5   HG13  ILE  12          HG13      ILE  12  -9.703  -5.429  -0.547
    6   HG21  ILE  12          HG21      ILE  12 -10.282  -2.051   0.904
    7   HG23  ILE  12          HG22      ILE  12 -10.239  -2.973  -0.601
    8   HG22  ILE  12          HG23      ILE  12  -8.741  -2.603   0.262
    9   HD11  ILE  12          HD11      ILE  12  -7.631  -3.967  -0.308
   10   HD13  ILE  12          HD12      ILE  12  -7.329  -5.674  -0.584
   11   HD12  ILE  12          HD13      ILE  12  -7.178  -5.004   1.035

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.235
    4   HG12  ILE  13          HG12      ILE  13 -13.493  -3.069   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.922  -3.525   3.577
    6   HG21  ILE  13          HG21      ILE  13 -13.888  -0.662   5.450
    7   HG23  ILE  13          HG22      ILE  13 -13.745  -1.857   6.739
    8   HG22  ILE  13          HG23      ILE  13 -15.159  -1.863   5.685
    9   HD11  ILE  13          HD11      ILE  13 -14.211  -0.620   3.416
   10   HD13  ILE  13          HD12      ILE  13 -15.794  -1.375   3.557
   11   HD12  ILE  13          HD13      ILE  13 -14.948  -1.388   2.012

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   55
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   55
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   55
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   55
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   55
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   55
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   55
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   55
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   55
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   55
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   55
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   55
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   55
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   55
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   55
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   55
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   55
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   55
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   55
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   55
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.944  -6.669  10.563
    4    HB3  HIS  52           HB3      HIS  52  -1.112  -7.748  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.206 -10.089  11.758
    6    HD2  HIS  52           HD2      HIS  52   1.303  -7.172   8.989
    7    HE1  HIS  52           HE1      HIS  52   2.428 -10.823  10.787
    8    HE2  HIS  52           HE2      HIS  52   3.111  -9.054   9.098

  No H/Q in entry =           8
  In of MODEL   55
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   55
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   55
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   55
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.220  10.983
    4    HG1  THR  56           HG1      THR  56   0.823 -12.566  11.162
    5   HG23  THR  56          HG21      THR  56   0.899 -15.180  11.668
    6   HG22  THR  56          HG22      THR  56   1.850 -14.272  10.494
    7   HG21  THR  56          HG23      THR  56   0.934 -15.687   9.980

  No H/Q in entry =           7
  In of MODEL   55
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   55
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.911
    4   HG12  ILE  59          HG12      ILE  59   2.379 -16.257   3.437
    5   HG13  ILE  59          HG13      ILE  59   1.138 -15.325   2.614
    6   HG21  ILE  59          HG21      ILE  59   1.117 -16.013   6.801
    7   HG23  ILE  59          HG22      ILE  59   2.392 -15.066   6.081
    8   HG22  ILE  59          HG23      ILE  59   2.279 -16.784   5.737
    9   HD12  ILE  59          HD11      ILE  59   3.355 -14.315   4.386
   10   HD11  ILE  59          HD12      ILE  59   1.931 -13.333   4.042
   11   HD13  ILE  59          HD13      ILE  59   2.984 -13.850   2.726

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   55
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   55
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   55
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   55
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   55
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   55
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   55
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   55
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LEU  74           H        LEU  74  -4.285 -13.677  -2.349
    2    HA   LEU  74           HA       LEU  74  -3.890 -12.579   0.164
    3    HB2  LEU  74           HB2      LEU  74  -2.974 -14.716  -0.500
    4    HB3  LEU  74           HB3      LEU  74  -1.971 -13.952  -1.728
    5    HG   LEU  74           HG       LEU  74  -0.731 -12.759   0.046
    6   HD12  LEU  74          HD11      LEU  74  -1.157 -13.780   2.416
    7   HD11  LEU  74          HD12      LEU  74  -2.742 -14.194   1.769
    8   HD13  LEU  74          HD13      LEU  74  -2.232 -12.507   1.840
    9   HD21  LEU  74          HD21      LEU  74  -0.320 -15.259  -0.797
   10   HD23  LEU  74          HD22      LEU  74  -0.730 -15.647   0.864
   11   HD22  LEU  74          HD23      LEU  74   0.632 -14.586   0.524

  No H/Q in entry =          11
  In of MODEL   55
    1    H    VAL  75           H        VAL  75  -2.641 -11.583  -2.923
    2    HA   VAL  75           HA       VAL  75  -0.703  -9.745  -1.879
    3    HB   VAL  75           HB       VAL  75  -1.986  -9.885  -4.626
    4   HG12  VAL  75          HG11      VAL  75   0.429  -8.793  -5.056
    5   HG11  VAL  75          HG12      VAL  75   0.151  -8.194  -3.421
    6   HG13  VAL  75          HG13      VAL  75  -0.995  -7.814  -4.705
    7   HG23  VAL  75          HG21      VAL  75   0.715 -10.949  -3.729
    8   HG22  VAL  75          HG22      VAL  75  -0.072 -11.205  -5.286
    9   HG21  VAL  75          HG23      VAL  75  -0.735 -11.948  -3.832

  No H/Q in entry =           9
  In of MODEL   55
    1    H    HIS  76           H        HIS  76  -4.297  -9.334  -3.254
    2    HA   HIS  76           HA       HIS  76  -4.636  -6.568  -3.154
    3    HB2  HIS  76           HB2      HIS  76  -6.356  -8.146  -4.044
    4    HB3  HIS  76           HB3      HIS  76  -6.735  -8.630  -2.396
    5    HD1  HIS  76           HD1      HIS  76  -6.005  -5.007  -2.766
    6    HD2  HIS  76           HD2      HIS  76  -9.408  -7.435  -2.953
    7    HE1  HIS  76           HE1      HIS  76  -8.016  -3.451  -2.637

  No H/Q in entry =           7
  In of MODEL   55
    1    H    ALA  77           H        ALA  77  -4.703  -8.945  -0.581
    2    HA   ALA  77           HA       ALA  77  -5.522  -7.028   1.440
    3    HB2  ALA  77           HB1      ALA  77  -4.810  -9.023   2.967
    4    HB1  ALA  77           HB2      ALA  77  -4.742  -9.928   1.455
    5    HB3  ALA  77           HB3      ALA  77  -6.256  -9.183   1.968

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLN  78           H        GLN  78  -2.505  -8.754   0.553
    2    HA   GLN  78           HA       GLN  78  -0.931  -7.695   2.638
    3    HB2  GLN  78           HB2      GLN  78  -0.385  -9.642   1.076
    4    HB3  GLN  78           HB3      GLN  78   0.091  -8.428  -0.110
    5    HG2  GLN  78           HG2      GLN  78   1.690  -7.486   1.538
    6    HG3  GLN  78           HG3      GLN  78   1.255  -8.765   2.668
    7   HE21  GLN  78          HE21      GLN  78   3.128 -10.075   2.670
    8   HE22  GLN  78          HE22      GLN  78   3.812 -10.747   1.270

  No H/Q in entry =           8
  In of MODEL   55
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   55
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.179
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.800   2.200
    5    HD1  HIS  80           HD1      HIS  80  -6.719  -0.963   1.165
    6    HD2  HIS  80           HD2      HIS  80  -5.032  -3.457  -1.718
    7    HE1  HIS  80           HE1      HIS  80  -7.594  -0.159  -1.079
    8    HE2  HIS  80           HE2      HIS  80  -6.572  -1.675  -2.846

  No H/Q in entry =           8
  In of MODEL   55
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   55
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   55
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   55
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   55
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   55
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   55
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   55
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   55
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   55
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   55
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   55
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   55
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   55
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   55
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.427 -20.434  -4.411
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.883  -3.469
    5    HG2  GLU   5           HG2      GLU   5  10.886 -19.832  -1.473
    6    HG3  GLU   5           HG3      GLU   5   9.473 -19.336  -2.403

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   55
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   55
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   55
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.030 -16.710   0.852
    4    HB3  MET   9           HB3      MET   9  13.738 -16.162   2.503
    5    HG2  MET   9           HG2      MET   9  11.323 -16.551   2.216
    6    HG3  MET   9           HG3      MET   9  11.602 -17.085   0.558
    7    HE1  MET   9           HE1      MET   9  12.524 -17.283   4.069
    8    HE3  MET   9           HE2      MET   9  13.095 -18.912   4.422
    9    HE2  MET   9           HE3      MET   9  11.365 -18.595   4.315

  No H/Q in entry =           9
  In of MODEL   55
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   55
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.311
    4   HG12  ILE  12          HG12      ILE  12  10.850 -11.551  -0.016
    5   HG13  ILE  12          HG13      ILE  12   9.646 -12.263   1.038
    6   HG23  ILE  12          HG21      ILE  12  10.859 -10.583   4.136
    7   HG22  ILE  12          HG22      ILE  12   9.509 -11.471   3.428
    8   HG21  ILE  12          HG23      ILE  12   9.736  -9.763   3.056
    9   HD11  ILE  12          HD11      ILE  12   8.793  -9.880   1.393
   10   HD13  ILE  12          HD12      ILE  12   8.540 -10.566  -0.201
   11   HD12  ILE  12          HD13      ILE  12   9.850  -9.425   0.066

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.104 -11.634   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.811 -12.620   4.659
    5   HG13  ILE  13          HG13      ILE  13  15.289 -13.528   4.955
    6   HG21  ILE  13          HG21      ILE  13  16.126 -10.503   6.638
    7   HG23  ILE  13          HG22      ILE  13  17.399 -10.460   5.419
    8   HG22  ILE  13          HG23      ILE  13  17.028 -11.969   6.252
    9   HD11  ILE  13          HD11      ILE  13  14.410 -11.564   7.037
   10   HD13  ILE  13          HD12      ILE  13  15.263 -13.094   7.228
   11   HD12  ILE  13          HD13      ILE  13  13.531 -13.087   6.905

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   55
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   55
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   55
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   55
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   55
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   55
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   55
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   55
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   55
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   55
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   55
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   55
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   55
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   55
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   55
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   55
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   55
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   55
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   55
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   55
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.313  -1.676  -5.686
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.654
    5    HD1  HIS  52           HD1      HIS  52  17.410  -2.055  -9.306
    6    HD2  HIS  52           HD2      HIS  52  14.050  -0.907  -7.120
    7    HE1  HIS  52           HE1      HIS  52  15.735  -1.165 -10.983
    8    HE2  HIS  52           HE2      HIS  52  13.681  -0.459  -9.666

  No H/Q in entry =           8
  In of MODEL   55
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   55
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   55
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   55
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.066
    4    HG1  THR  56           HG1      THR  56  16.972  -3.097 -11.671
    5   HG23  THR  56          HG21      THR  56  17.768  -4.156 -13.981
    6   HG22  THR  56          HG22      THR  56  16.191  -3.473 -13.586
    7   HG21  THR  56          HG23      THR  56  16.303  -5.097 -14.260

  No H/Q in entry =           7
  In of MODEL   55
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   55
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.837  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.890  -7.041 -14.838
    5   HG13  ILE  59          HG13      ILE  59   9.522  -7.846 -13.320
    6   HG21  ILE  59          HG21      ILE  59  13.406  -6.453 -14.310
    7   HG23  ILE  59          HG22      ILE  59  12.104  -5.313 -14.089
    8   HG22  ILE  59          HG23      ILE  59  12.082  -6.411 -15.460
    9   HD12  ILE  59          HD11      ILE  59  10.071  -4.922 -13.788
   10   HD11  ILE  59          HD12      ILE  59  10.200  -5.638 -12.182
   11   HD13  ILE  59          HD13      ILE  59   8.658  -5.662 -13.036

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   55
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   55
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   55
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   55
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   55
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   55
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   55
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   55
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LEU  74           H        LEU  74   7.024 -13.177  -8.615
    2    HA   LEU  74           HA       LEU  74   8.956 -11.245  -8.155
    3    HB2  LEU  74           HB2      LEU  74   8.283 -11.944 -10.375
    4    HB3  LEU  74           HB3      LEU  74   6.658 -11.317 -10.122
    5    HG   LEU  74           HG       LEU  74   7.583  -9.031  -9.943
    6   HD12  LEU  74          HD11      LEU  74  10.034  -8.871 -10.831
    7   HD11  LEU  74          HD12      LEU  74  10.162 -10.548 -10.302
    8   HD13  LEU  74          HD13      LEU  74   9.780  -9.281  -9.136
    9   HD21  LEU  74          HD21      LEU  74   7.005 -10.360 -12.187
   10   HD23  LEU  74          HD22      LEU  74   8.724 -10.165 -12.477
   11   HD22  LEU  74          HD23      LEU  74   7.709  -8.746 -12.250

  No H/Q in entry =          11
  In of MODEL   55
    1    H    VAL  75           H        VAL  75   5.481 -11.033  -7.830
    2    HA   VAL  75           HA       VAL  75   5.365  -8.234  -7.300
    3    HB   VAL  75           HB       VAL  75   3.441 -10.455  -6.546
    4   HG12  VAL  75          HG11      VAL  75   1.882  -8.291  -6.690
    5   HG11  VAL  75          HG12      VAL  75   3.380  -7.484  -6.226
    6   HG13  VAL  75          HG13      VAL  75   2.700  -8.740  -5.193
    7   HG23  VAL  75          HG21      VAL  75   3.303  -8.474  -8.847
    8   HG22  VAL  75          HG22      VAL  75   2.239  -9.851  -8.563
    9   HG21  VAL  75          HG23      VAL  75   3.922 -10.117  -9.011

  No H/Q in entry =           9
  In of MODEL   55
    1    H    HIS  76           H        HIS  76   5.569 -11.180  -5.128
    2    HA   HIS  76           HA       HIS  76   5.299  -9.925  -2.649
    3    HB2  HIS  76           HB2      HIS  76   5.457 -12.412  -3.062
    4    HB3  HIS  76           HB3      HIS  76   7.204 -12.204  -3.213
    5    HD1  HIS  76           HD1      HIS  76   5.316 -10.091  -0.777
    6    HD2  HIS  76           HD2      HIS  76   7.652 -13.543  -0.709
    7    HE1  HIS  76           HE1      HIS  76   5.846 -10.549   1.656

  No H/Q in entry =           7
  In of MODEL   55
    1    H    ALA  77           H        ALA  77   8.214 -10.432  -4.618
    2    HA   ALA  77           HA       ALA  77   9.967  -9.134  -2.768
    3    HB3  ALA  77           HB1      ALA  77  11.399  -8.947  -4.965
    4    HB2  ALA  77           HB2      ALA  77  10.161 -10.014  -5.627
    5    HB1  ALA  77           HB3      ALA  77  11.114 -10.528  -4.236

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLN  78           H        GLN  78   8.189  -8.077  -5.654
    2    HA   GLN  78           HA       GLN  78   9.295  -5.476  -5.787
    3    HB2  GLN  78           HB2      GLN  78   7.924  -6.721  -7.559
    4    HB3  GLN  78           HB3      GLN  78   6.499  -6.227  -6.647
    5    HG2  GLN  78           HG2      GLN  78   7.211  -3.862  -6.855
    6    HG3  GLN  78           HG3      GLN  78   8.586  -4.377  -7.830
    7   HE21  GLN  78          HE21      GLN  78   8.018  -3.644  -9.914
    8   HE22  GLN  78          HE22      GLN  78   6.567  -4.050 -10.697

  No H/Q in entry =           8
  In of MODEL   55
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   55
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.174  -7.449  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.036  -6.564   0.741
    5    HD1  HIS  80           HD1      HIS  80   9.394  -7.076   3.092
    6    HD2  HIS  80           HD2      HIS  80   6.438  -8.253   0.397
    7    HE1  HIS  80           HE1      HIS  80   7.610  -8.266   4.454
    8    HE2  HIS  80           HE2      HIS  80   5.802  -8.987   2.821

  No H/Q in entry =           8
  In of MODEL   55
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   55
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   55
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   55
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   55
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   55
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   55
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   55
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   55
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   55
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   55
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   55
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   55
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   55
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   55
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.115  -6.384 -21.721
    4    HB3  GLU   5           HB3      GLU   5   0.407  -5.157 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.478  -4.481 -21.830
    6    HG3  GLU   5           HG3      GLU   5   2.181  -5.646 -20.543

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   55
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   55
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   55
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.883   0.425 -20.998
    4    HB3  MET   9           HB3      MET   9   4.418   1.175 -20.556
    5    HG2  MET   9           HG2      MET   9   5.192  -0.960 -19.599
    6    HG3  MET   9           HG3      MET   9   3.656  -1.713 -20.026
    7    HE1  MET   9           HE1      MET   9   6.481   0.338 -21.024
    8    HE3  MET   9           HE2      MET   9   6.794   0.092 -22.741
    9    HE2  MET   9           HE3      MET   9   7.358  -1.098 -21.570

  No H/Q in entry =           9
  In of MODEL   55
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   55
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.476   1.687 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.661   0.284 -14.877
    5   HG13  ILE  12          HG13      ILE  12   4.204  -0.540 -14.966
    6   HG23  ILE  12          HG21      ILE  12   6.268   2.521 -14.487
    7   HG22  ILE  12          HG22      ILE  12   6.297   0.758 -14.459
    8   HG21  ILE  12          HG23      ILE  12   5.632   1.650 -13.092
    9   HD11  ILE  12          HD11      ILE  12   4.535   0.171 -12.536
   10   HD13  ILE  12          HD12      ILE  12   3.292  -1.033 -12.829
   11   HD12  ILE  12          HD13      ILE  12   2.844   0.646 -12.560

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.814 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.825   3.928 -17.790
    5   HG13  ILE  13          HG13      ILE  13   5.620   4.704 -19.357
    6   HG21  ILE  13          HG21      ILE  13   6.370   7.577 -17.390
    7   HG23  ILE  13          HG22      ILE  13   4.744   8.042 -17.891
    8   HG22  ILE  13          HG23      ILE  13   5.862   7.346 -19.063
    9   HD11  ILE  13          HD11      ILE  13   7.580   5.910 -17.443
   10   HD13  ILE  13          HD12      ILE  13   7.621   5.853 -19.204
   11   HD12  ILE  13          HD13      ILE  13   8.032   4.419 -18.266

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   55
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   55
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   55
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   55
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   55
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   55
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   55
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   55
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   55
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   55
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   55
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   55
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   55
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   55
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   55
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   55
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   55
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   55
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   55
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   55
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.035  -8.750
    4    HB3  HIS  52           HB3      HIS  52  -7.529   7.693  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.730   6.156  -9.286
    6    HD2  HIS  52           HD2      HIS  52  -6.565   5.134  -6.773
    7    HE1  HIS  52           HE1      HIS  52 -10.694   4.645  -7.503
    8    HE2  HIS  52           HE2      HIS  52  -8.779   4.017  -5.955

  No H/Q in entry =           8
  In of MODEL   55
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   55
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   55
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   55
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.900   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -11.558   4.305  -9.694
    5   HG23  THR  56          HG21      THR  56 -13.821   3.358 -10.850
    6   HG22  THR  56          HG22      THR  56 -12.941   2.783  -9.434
    7   HG21  THR  56          HG23      THR  56 -13.299   1.676 -10.757

  No H/Q in entry =           7
  In of MODEL   55
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   55
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.665  -1.970 -10.405
    4   HG12  ILE  59          HG12      ILE  59 -10.931  -4.329  -9.008
    5   HG13  ILE  59          HG13      ILE  59  -9.336  -4.423  -9.737
    6   HG23  ILE  59          HG21      ILE  59 -11.919  -1.109 -10.315
    7   HG22  ILE  59          HG22      ILE  59 -11.498  -1.679  -8.722
    8   HG21  ILE  59          HG23      ILE  59 -12.553  -2.641  -9.744
    9   HD12  ILE  59          HD11      ILE  59 -10.241  -2.743  -7.420
   10   HD11  ILE  59          HD12      ILE  59  -8.846  -2.252  -8.379
   11   HD13  ILE  59          HD13      ILE  59  -8.835  -3.801  -7.537

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   55
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   55
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   55
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   55
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   55
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   55
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   55
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   55
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   55
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LEU  74           H        LEU  74  -3.312  -7.009 -13.422
    2    HA   LEU  74           HA       LEU  74  -3.952  -4.380 -12.837
    3    HB2  LEU  74           HB2      LEU  74  -5.591  -6.166 -12.856
    4    HB3  LEU  74           HB3      LEU  74  -4.790  -6.972 -11.513
    5    HG   LEU  74           HG       LEU  74  -5.322  -5.044 -10.057
    6   HD12  LEU  74          HD11      LEU  74  -7.146  -3.486 -11.094
    7   HD11  LEU  74          HD12      LEU  74  -6.482  -4.013 -12.639
    8   HD13  LEU  74          HD13      LEU  74  -5.455  -3.174 -11.477
    9   HD21  LEU  74          HD21      LEU  74  -6.930  -7.090 -10.664
   10   HD23  LEU  74          HD22      LEU  74  -7.918  -5.815 -11.356
   11   HD22  LEU  74          HD23      LEU  74  -7.500  -5.767  -9.648

  No H/Q in entry =          11
  In of MODEL   55
    1    H    VAL  75           H        VAL  75  -2.293  -6.748 -10.883
    2    HA   VAL  75           HA       VAL  75  -2.148  -5.186  -8.502
    3    HB   VAL  75           HB       VAL  75  -0.379  -7.460  -9.439
    4   HG12  VAL  75          HG11      VAL  75  -0.205  -7.578  -6.782
    5   HG11  VAL  75          HG12      VAL  75  -0.527  -5.850  -6.921
    6   HG13  VAL  75          HG13      VAL  75   0.878  -6.552  -7.723
    7   HG23  VAL  75          HG21      VAL  75  -2.698  -7.502  -7.475
    8   HG22  VAL  75          HG22      VAL  75  -1.820  -8.890  -8.118
    9   HG21  VAL  75          HG23      VAL  75  -2.859  -7.937  -9.175

  No H/Q in entry =           9
  In of MODEL   55
    1    H    HIS  76           H        HIS  76   0.131  -5.644 -11.329
    2    HA   HIS  76           HA       HIS  76   2.312  -4.187 -10.376
    3    HB2  HIS  76           HB2      HIS  76   2.119  -5.506 -12.566
    4    HB3  HIS  76           HB3      HIS  76   1.388  -4.050 -13.243
    5    HD1  HIS  76           HD1      HIS  76   3.242  -3.079 -14.637
    6    HD2  HIS  76           HD2      HIS  76   4.554  -4.152 -10.829
    7    HE1  HIS  76           HE1      HIS  76   5.627  -2.251 -14.442

  No H/Q in entry =           7
  In of MODEL   55
    1    H    ALA  77           H        ALA  77  -0.583  -3.051 -12.096
    2    HA   ALA  77           HA       ALA  77   0.199  -0.299 -12.080
    3    HB2  ALA  77           HB1      ALA  77  -2.388  -0.038 -12.450
    4    HB3  ALA  77           HB2      ALA  77  -2.346  -1.791 -12.637
    5    HB1  ALA  77           HB3      ALA  77  -1.397  -0.768 -13.715

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLN  78           H        GLN  78  -1.830  -2.315  -9.978
    2    HA   GLN  78           HA       GLN  78  -2.770  -0.217  -8.326
    3    HB2  GLN  78           HB2      GLN  78  -3.636  -2.623  -8.501
    4    HB3  GLN  78           HB3      GLN  78  -2.308  -3.064  -7.429
    5    HG2  GLN  78           HG2      GLN  78  -3.123  -1.404  -5.777
    6    HG3  GLN  78           HG3      GLN  78  -4.487  -1.047  -6.833
    7   HE21  GLN  78          HE21      GLN  78  -6.238  -1.972  -5.698
    8   HE22  GLN  78          HE22      GLN  78  -6.297  -3.596  -5.210

  No H/Q in entry =           8
  In of MODEL   55
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   55
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.312   0.896 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.973   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.424   2.762 -10.638
    6    HD2  HIS  80           HD2      HIS  80   4.368  -1.189  -9.829
    7    HE1  HIS  80           HE1      HIS  80   7.549   1.388 -10.862
    8    HE2  HIS  80           HE2      HIS  80   6.917  -1.024 -10.372

  No H/Q in entry =           8
  In of MODEL   55
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   55
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   55
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   55
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   55
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   55
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   55
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   55
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   55
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   55
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   55
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   55
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   55
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   55
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   55
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   55
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   55
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   55
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   55
    1    H    PHE   9           H        PHE   9 -21.287   0.636  -3.911
    2    HA   PHE   9           HA       PHE   9 -18.526   1.528  -4.533
    3    HB2  PHE   9           HB2      PHE   9 -20.354   2.445  -2.306
    4    HB3  PHE   9           HB3      PHE   9 -18.645   2.860  -2.431
    5    HD1  PHE   9           HD1      PHE   9 -21.995   3.521  -3.660
    6    HD2  PHE   9           HD2      PHE   9 -17.817   4.165  -4.414
    7    HE1  PHE   9           HE1      PHE   9 -22.561   5.368  -5.213
    8    HE2  PHE   9           HE2      PHE   9 -18.384   6.012  -5.970
    9    HZ   PHE   9           HZ       PHE   9 -20.756   6.614  -6.370

  No H/Q in entry =           9
  In of MODEL   55
    1    H    CYS  10           H        CYS  10 -16.928   0.914  -3.220
    2    HA   CYS  10           HA       CYS  10 -17.194  -0.750  -0.883
    3    HB2  CYS  10           HB2      CYS  10 -16.129  -2.709  -1.662
    4    HB3  CYS  10           HB3      CYS  10 -17.265  -2.313  -2.956

  No H/Q in entry =           4
  In of MODEL   55
    1    H    SER  11           H        SER  11 -14.460  -1.442  -0.375
    2    HA   SER  11           HA       SER  11 -13.478   1.172   0.004
    3    HB2  SER  11           HB2      SER  11 -11.210  -0.178   0.292
    4    HB3  SER  11           HB3      SER  11 -12.477  -0.274   1.497
    5    HG   SER  11           HG       SER  11 -13.181  -2.185   0.562

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA  12           H        ALA  12 -12.202  -1.348  -2.320
    2    HA   ALA  12           HA       ALA  12 -10.806   0.884  -3.639
    3    HB1  ALA  12           HB1      ALA  12 -10.090  -1.843  -2.989
    4    HB3  ALA  12           HB2      ALA  12  -9.061  -0.526  -3.550
    5    HB2  ALA  12           HB3      ALA  12  -9.902  -1.545  -4.717

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLY  13           H        GLY  13 -12.976  -1.839  -4.217
    2    HA3  GLY  13           HA2      GLY  13 -14.760  -1.515  -5.847
    3    HA2  GLY  13           HA3      GLY  13 -13.580  -0.708  -6.874

  No H/Q in entry =           3
  In of MODEL   55
    1    H    MET  14           H        MET  14 -12.697  -3.671  -5.160
    2    HA   MET  14           HA       MET  14 -12.523  -4.963  -7.805
    3    HB2  MET  14           HB2      MET  14 -10.445  -4.706  -6.409
    4    HB3  MET  14           HB3      MET  14 -11.158  -5.838  -5.260
    5    HG2  MET  14           HG2      MET  14 -11.353  -7.531  -7.044
    6    HG3  MET  14           HG3      MET  14 -10.647  -6.402  -8.198
    7    HE3  MET  14           HE1      MET  14  -8.329  -9.309  -7.607
    8    HE2  MET  14           HE2      MET  14  -7.937  -7.955  -8.663
    9    HE1  MET  14           HE3      MET  14  -9.597  -8.532  -8.563

  No H/Q in entry =           9
  In of MODEL   55
    1    H    SER  15           H        SER  15 -12.840  -6.317  -4.554
    2    HA   SER  15           HA       SER  15 -14.078  -8.660  -5.210
    3    HB2  SER  15           HB2      SER  15 -13.414  -7.825  -2.888
    4    HB3  SER  15           HB3      SER  15 -15.015  -7.087  -2.825
    5    HG   SER  15           HG       SER  15 -14.258  -9.732  -2.700

  No H/Q in entry =           5
  In of MODEL   55
    1    H    THR  16           H        THR  16 -15.505  -5.475  -5.471
    2    HA   THR  16           HA       THR  16 -18.189  -6.690  -5.629
    3    HB   THR  16           HB       THR  16 -17.437  -3.772  -5.939
    4    HG1  THR  16           HG1      THR  16 -16.858  -4.323  -3.901
    5   HG23  THR  16          HG21      THR  16 -19.606  -4.055  -6.787
    6   HG22  THR  16          HG22      THR  16 -19.899  -3.633  -5.099
    7   HG21  THR  16          HG23      THR  16 -20.002  -5.316  -5.617

  No H/Q in entry =           7
  In of MODEL   55
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   55
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   55
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   55
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   55
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   55
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   55
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   55
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   55
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   55
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   55
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   55
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   55
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   55
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   55
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   55
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   55
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   55
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   55
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   55
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   55
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   55
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   55
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   55
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   55
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   55
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   55
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   55
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.078   1.796
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.016  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.791  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   55
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   55
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   55
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   55
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   55
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   55
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   55
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   55
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   55
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   55
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   55
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   55
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   55
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   55
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   55
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   55
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   55
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   55
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   55
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   55
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   55
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   55
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   55
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   55
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   55
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   55
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   55
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   55
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   55
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   55
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   55
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   55
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   55
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   55
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   55
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   55
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   55
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   55
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   56
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   56
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.300 -14.304  -2.712
    4    HB3  GLU   5           HB3      GLU   5 -14.706 -13.900  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.806 -12.526  -3.703
    6    HG3  GLU   5           HG3      GLU   5 -14.348 -11.481  -2.358

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   56
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   56
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   56
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.701  -8.442   1.528
    4    HB3  MET   9           HB3      MET   9 -15.033  -6.718   1.361
    5    HG2  MET   9           HG2      MET   9 -14.230  -6.770  -0.959
    6    HG3  MET   9           HG3      MET   9 -13.853  -8.485  -0.801
    7    HE3  MET   9           HE1      MET   9 -17.885  -6.428  -0.535
    8    HE2  MET   9           HE2      MET   9 -16.851  -6.032  -1.904
    9    HE1  MET   9           HE3      MET   9 -16.257  -5.797  -0.268

  No H/Q in entry =           9
  In of MODEL   56
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   56
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.934  -4.420   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.136  -6.133   0.956
    5   HG13  ILE  12          HG13      ILE  12  -9.692  -5.426  -0.548
    6   HG23  ILE  12          HG21      ILE  12 -10.303  -2.960  -0.574
    7   HG22  ILE  12          HG22      ILE  12  -8.798  -2.544   0.248
    8   HG21  ILE  12          HG23      ILE  12 -10.354  -2.076   0.945
    9   HD11  ILE  12          HD11      ILE  12  -7.692  -3.866  -0.396
   10   HD13  ILE  12          HD12      ILE  12  -7.305  -5.559  -0.646
   11   HD12  ILE  12          HD13      ILE  12  -7.147  -4.848   0.954

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.494  -3.067   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.924  -3.522   3.577
    6   HG21  ILE  13          HG21      ILE  13 -13.873  -0.663   5.464
    7   HG23  ILE  13          HG22      ILE  13 -13.757  -1.872   6.743
    8   HG22  ILE  13          HG23      ILE  13 -15.160  -1.851   5.674
    9   HD12  ILE  13          HD11      ILE  13 -14.942  -1.373   2.015
   10   HD11  ILE  13          HD12      ILE  13 -14.208  -0.621   3.426
   11   HD13  ILE  13          HD13      ILE  13 -15.796  -1.373   3.556

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   56
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   56
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   56
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   56
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   56
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   56
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   56
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   56
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   56
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   56
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   56
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   56
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   56
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   56
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   56
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   56
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   56
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   56
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   56
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   56
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.928  -6.676  10.544
    4    HB3  HIS  52           HB3      HIS  52  -1.124  -7.725  11.947
    5    HD1  HIS  52           HD1      HIS  52   0.267  -9.975  11.955
    6    HD2  HIS  52           HD2      HIS  52   1.233  -7.344   8.869
    7    HE1  HIS  52           HE1      HIS  52   2.465 -10.781  10.989
    8    HE2  HIS  52           HE2      HIS  52   3.069  -9.186   9.107

  No H/Q in entry =           8
  In of MODEL   56
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   56
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   56
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   56
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.220  10.983
    4    HG1  THR  56           HG1      THR  56   0.270 -12.486  11.504
    5   HG21  THR  56          HG21      THR  56   0.960 -15.680   9.971
    6   HG23  THR  56          HG22      THR  56   0.877 -15.193  11.663
    7   HG22  THR  56          HG23      THR  56   1.845 -14.259  10.524

  No H/Q in entry =           7
  In of MODEL   56
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   56
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.912
    4   HG12  ILE  59          HG12      ILE  59   2.379 -16.256   3.435
    5   HG13  ILE  59          HG13      ILE  59   1.136 -15.324   2.614
    6   HG21  ILE  59          HG21      ILE  59   1.119 -16.014   6.800
    7   HG23  ILE  59          HG22      ILE  59   2.393 -15.067   6.080
    8   HG22  ILE  59          HG23      ILE  59   2.280 -16.785   5.735
    9   HD11  ILE  59          HD11      ILE  59   1.927 -13.329   4.037
   10   HD13  ILE  59          HD12      ILE  59   2.984 -13.851   2.725
   11   HD12  ILE  59          HD13      ILE  59   3.351 -14.310   4.387

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   56
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   56
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   56
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   56
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   56
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   56
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   56
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   56
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LEU  74           H        LEU  74  -4.210 -13.640  -2.377
    2    HA   LEU  74           HA       LEU  74  -3.793 -12.469   0.120
    3    HB2  LEU  74           HB2      LEU  74  -2.870 -14.621  -0.532
    4    HB3  LEU  74           HB3      LEU  74  -1.883 -13.856  -1.772
    5    HG   LEU  74           HG       LEU  74  -0.668 -12.612  -0.009
    6   HD12  LEU  74          HD11      LEU  74  -1.041 -13.581   2.367
    7   HD11  LEU  74          HD12      LEU  74  -2.593 -14.138   1.746
    8   HD13  LEU  74          HD13      LEU  74  -2.221 -12.414   1.770
    9   HD23  LEU  74          HD21      LEU  74  -0.627 -15.537   0.752
   10   HD22  LEU  74          HD22      LEU  74   0.721 -14.432   0.547
   11   HD21  LEU  74          HD23      LEU  74  -0.136 -15.037  -0.865

  No H/Q in entry =          11
  In of MODEL   56
    1    H    VAL  75           H        VAL  75  -2.647 -11.586  -3.030
    2    HA   VAL  75           HA       VAL  75  -0.691  -9.676  -2.214
    3    HB   VAL  75           HB       VAL  75  -2.214 -10.054  -4.806
    4   HG11  VAL  75          HG11      VAL  75   0.074  -8.169  -4.167
    5   HG13  VAL  75          HG12      VAL  75  -1.567  -7.703  -4.611
    6   HG12  VAL  75          HG13      VAL  75  -0.530  -8.506  -5.788
    7   HG22  VAL  75          HG21      VAL  75  -0.667 -11.868  -4.352
    8   HG21  VAL  75          HG22      VAL  75   0.604 -10.734  -3.896
    9   HG23  VAL  75          HG23      VAL  75   0.070 -10.829  -5.572

  No H/Q in entry =           9
  In of MODEL   56
    1    H    HIS  76           H        HIS  76  -4.378  -9.286  -3.355
    2    HA   HIS  76           HA       HIS  76  -4.702  -6.515  -3.171
    3    HB2  HIS  76           HB2      HIS  76  -6.440  -8.112  -4.050
    4    HB3  HIS  76           HB3      HIS  76  -6.804  -8.561  -2.389
    5    HD1  HIS  76           HD1      HIS  76  -6.020  -4.954  -2.895
    6    HD2  HIS  76           HD2      HIS  76  -9.462  -7.334  -2.864
    7    HE1  HIS  76           HE1      HIS  76  -8.002  -3.364  -2.747

  No H/Q in entry =           7
  In of MODEL   56
    1    H    ALA  77           H        ALA  77  -4.700  -8.974  -0.657
    2    HA   ALA  77           HA       ALA  77  -5.515  -7.127   1.421
    3    HB2  ALA  77           HB1      ALA  77  -6.183  -9.311   1.897
    4    HB1  ALA  77           HB2      ALA  77  -4.736  -9.137   2.889
    5    HB3  ALA  77           HB3      ALA  77  -4.654 -10.008   1.359

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLN  78           H        GLN  78  -2.458  -8.795   0.525
    2    HA   GLN  78           HA       GLN  78  -0.925  -7.714   2.621
    3    HB2  GLN  78           HB2      GLN  78  -0.346  -9.645   1.035
    4    HB3  GLN  78           HB3      GLN  78   0.165  -8.404  -0.108
    5    HG2  GLN  78           HG2      GLN  78   1.728  -7.506   1.576
    6    HG3  GLN  78           HG3      GLN  78   1.234  -8.764   2.705
    7   HE21  GLN  78          HE21      GLN  78   3.763  -9.152   2.427
    8   HE22  GLN  78          HE22      GLN  78   4.196 -10.256   1.213

  No H/Q in entry =           8
  In of MODEL   56
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   56
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.057  -4.205   1.215
    4    HB3  HIS  80           HB3      HIS  80  -5.398  -2.769   2.184
    5    HD1  HIS  80           HD1      HIS  80  -6.716  -0.966   1.077
    6    HD2  HIS  80           HD2      HIS  80  -5.010  -3.560  -1.706
    7    HE1  HIS  80           HE1      HIS  80  -7.573  -0.241  -1.201
    8    HE2  HIS  80           HE2      HIS  80  -6.539  -1.817  -2.906

  No H/Q in entry =           8
  In of MODEL   56
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   56
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   56
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   56
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   56
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   56
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   56
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   56
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   56
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   56
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   56
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   56
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   56
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   56
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   56
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.448 -20.446  -4.423
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.878  -3.443
    5    HG2  GLU   5           HG2      GLU   5   9.915 -21.079  -2.029
    6    HG3  GLU   5           HG3      GLU   5  10.784 -19.631  -1.524

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   56
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   56
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   56
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.026 -16.712   0.849
    4    HB3  MET   9           HB3      MET   9  13.743 -16.162   2.501
    5    HG2  MET   9           HG2      MET   9  11.332 -16.555   2.238
    6    HG3  MET   9           HG3      MET   9  11.588 -17.070   0.570
    7    HE3  MET   9           HE1      MET   9  13.149 -18.939   4.386
    8    HE2  MET   9           HE2      MET   9  11.416 -18.629   4.321
    9    HE1  MET   9           HE3      MET   9  12.551 -17.307   4.061

  No H/Q in entry =           9
  In of MODEL   56
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   56
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.956   2.296
    4   HG12  ILE  12          HG12      ILE  12  10.821 -11.455  -0.032
    5   HG13  ILE  12          HG13      ILE  12   9.688 -12.290   1.011
    6   HG22  ILE  12          HG21      ILE  12   9.517 -11.476   3.430
    7   HG21  ILE  12          HG22      ILE  12   9.761  -9.761   3.099
    8   HG23  ILE  12          HG23      ILE  12  10.884 -10.626   4.147
    9   HD11  ILE  12          HD11      ILE  12   8.629 -10.064   1.488
   10   HD13  ILE  12          HD12      ILE  12   8.526 -10.551  -0.194
   11   HD12  ILE  12          HD13      ILE  12   9.719  -9.359   0.304

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.102 -11.636   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.813 -12.622   4.660
    5   HG13  ILE  13          HG13      ILE  13  15.291 -13.528   4.964
    6   HG21  ILE  13          HG21      ILE  13  16.134 -10.485   6.627
    7   HG23  ILE  13          HG22      ILE  13  17.410 -10.475   5.410
    8   HG22  ILE  13          HG23      ILE  13  17.017 -11.968   6.263
    9   HD12  ILE  13          HD11      ILE  13  13.521 -13.063   6.912
   10   HD11  ILE  13          HD12      ILE  13  14.424 -11.554   7.034
   11   HD13  ILE  13          HD13      ILE  13  15.254 -13.096   7.234

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   56
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   56
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   56
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   56
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   56
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   56
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   56
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   56
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   56
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   56
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   56
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   56
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   56
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   56
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   56
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   56
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   56
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   56
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   56
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   56
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.290  -1.676  -5.698
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.627
    5    HD1  HIS  52           HD1      HIS  52  17.548  -1.870  -9.260
    6    HD2  HIS  52           HD2      HIS  52  13.996  -1.096  -7.219
    7    HE1  HIS  52           HE1      HIS  52  15.898  -1.032 -10.988
    8    HE2  HIS  52           HE2      HIS  52  13.727  -0.554  -9.760

  No H/Q in entry =           8
  In of MODEL   56
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   56
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   56
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   56
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.063
    4    HG1  THR  56           HG1      THR  56  17.501  -3.337 -11.341
    5   HG21  THR  56          HG21      THR  56  16.282  -5.081 -14.268
    6   HG23  THR  56          HG22      THR  56  17.775  -4.188 -13.983
    7   HG22  THR  56          HG23      THR  56  16.223  -3.459 -13.580

  No H/Q in entry =           7
  In of MODEL   56
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   56
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.838  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.889  -7.040 -14.837
    5   HG13  ILE  59          HG13      ILE  59   9.522  -7.847 -13.320
    6   HG21  ILE  59          HG21      ILE  59  13.405  -6.454 -14.312
    7   HG23  ILE  59          HG22      ILE  59  12.105  -5.313 -14.089
    8   HG22  ILE  59          HG23      ILE  59  12.079  -6.410 -15.460
    9   HD11  ILE  59          HD11      ILE  59  10.198  -5.641 -12.178
   10   HD13  ILE  59          HD12      ILE  59   8.658  -5.664 -13.036
   11   HD12  ILE  59          HD13      ILE  59  10.072  -4.922 -13.783

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   56
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   56
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   56
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   56
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   56
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   56
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   56
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   56
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LEU  74           H        LEU  74   6.936 -13.102  -8.618
    2    HA   LEU  74           HA       LEU  74   8.871 -11.156  -8.088
    3    HB2  LEU  74           HB2      LEU  74   8.235 -11.827 -10.334
    4    HB3  LEU  74           HB3      LEU  74   6.598 -11.229 -10.085
    5    HG   LEU  74           HG       LEU  74   7.502  -8.934  -9.826
    6   HD12  LEU  74          HD11      LEU  74   9.935  -8.694 -10.687
    7   HD11  LEU  74          HD12      LEU  74  10.097 -10.405 -10.296
    8   HD13  LEU  74          HD13      LEU  74   9.711  -9.242  -9.027
    9   HD23  LEU  74          HD21      LEU  74   8.597 -10.067 -12.407
   10   HD22  LEU  74          HD22      LEU  74   7.705  -8.579 -12.147
   11   HD21  LEU  74          HD23      LEU  74   6.868 -10.125 -12.076

  No H/Q in entry =          11
  In of MODEL   56
    1    H    VAL  75           H        VAL  75   5.410 -11.103  -7.759
    2    HA   VAL  75           HA       VAL  75   5.078  -8.339  -7.199
    3    HB   VAL  75           HB       VAL  75   3.419 -10.771  -6.493
    4   HG11  VAL  75          HG11      VAL  75   2.763  -7.836  -6.094
    5   HG13  VAL  75          HG12      VAL  75   3.026  -9.018  -4.813
    6   HG12  VAL  75          HG13      VAL  75   1.631  -9.171  -5.881
    7   HG22  VAL  75          HG21      VAL  75   3.448 -10.281  -8.871
    8   HG21  VAL  75          HG22      VAL  75   3.171  -8.566  -8.570
    9   HG23  VAL  75          HG23      VAL  75   1.899  -9.737  -8.228

  No H/Q in entry =           9
  In of MODEL   56
    1    H    HIS  76           H        HIS  76   5.549 -11.242  -4.996
    2    HA   HIS  76           HA       HIS  76   5.337  -9.905  -2.540
    3    HB2  HIS  76           HB2      HIS  76   5.536 -12.433  -2.983
    4    HB3  HIS  76           HB3      HIS  76   7.280 -12.160  -3.001
    5    HD1  HIS  76           HD1      HIS  76   7.975 -13.084  -0.758
    6    HD2  HIS  76           HD2      HIS  76   4.739 -10.474  -0.444
    7    HE1  HIS  76           HE1      HIS  76   7.575 -12.734   1.717

  No H/Q in entry =           7
  In of MODEL   56
    1    H    ALA  77           H        ALA  77   8.166 -10.454  -4.621
    2    HA   ALA  77           HA       ALA  77  10.009  -9.167  -2.864
    3    HB1  ALA  77           HB1      ALA  77  11.051 -10.577  -4.396
    4    HB3  ALA  77           HB2      ALA  77  11.352  -8.991  -5.105
    5    HB2  ALA  77           HB3      ALA  77  10.066 -10.012  -5.746

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLN  78           H        GLN  78   8.143  -8.065  -5.689
    2    HA   GLN  78           HA       GLN  78   9.283  -5.473  -5.800
    3    HB2  GLN  78           HB2      GLN  78   7.880  -6.705  -7.574
    4    HB3  GLN  78           HB3      GLN  78   6.474  -6.158  -6.662
    5    HG2  GLN  78           HG2      GLN  78   7.230  -3.825  -6.896
    6    HG3  GLN  78           HG3      GLN  78   8.628  -4.370  -7.820
    7   HE21  GLN  78          HE21      GLN  78   7.405  -2.787  -9.435
    8   HE22  GLN  78          HE22      GLN  78   6.288  -3.534 -10.473

  No H/Q in entry =           8
  In of MODEL   56
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   56
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.209  -7.434  -0.525
    4    HB3  HIS  80           HB3      HIS  80  10.020  -6.560   0.776
    5    HD1  HIS  80           HD1      HIS  80   9.291  -7.091   3.101
    6    HD2  HIS  80           HD2      HIS  80   6.471  -8.312   0.283
    7    HE1  HIS  80           HE1      HIS  80   7.482  -8.330   4.383
    8    HE2  HIS  80           HE2      HIS  80   5.757  -9.079   2.674

  No H/Q in entry =           8
  In of MODEL   56
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   56
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   56
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   56
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   56
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   56
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   56
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   56
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   56
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   56
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   56
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   56
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   56
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   56
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   56
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.083  -6.376 -21.757
    4    HB3  GLU   5           HB3      GLU   5   0.449  -5.131 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.545  -6.104 -22.268
    6    HG3  GLU   5           HG3      GLU   5   2.454  -4.497 -21.552

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   56
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   56
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   56
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.883   0.419 -20.998
    4    HB3  MET   9           HB3      MET   9   4.414   1.178 -20.558
    5    HG2  MET   9           HG2      MET   9   5.210  -0.946 -19.609
    6    HG3  MET   9           HG3      MET   9   3.672  -1.711 -20.007
    7    HE3  MET   9           HE1      MET   9   6.749   0.096 -22.790
    8    HE2  MET   9           HE2      MET   9   7.346  -1.075 -21.616
    9    HE1  MET   9           HE3      MET   9   6.466   0.347 -21.062

  No H/Q in entry =           9
  In of MODEL   56
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   56
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.462   1.678 -15.889
    4   HG12  ILE  12          HG12      ILE  12   2.646   0.302 -14.777
    5   HG13  ILE  12          HG13      ILE  12   4.168  -0.534 -15.004
    6   HG22  ILE  12          HG21      ILE  12   6.298   0.764 -14.472
    7   HG21  ILE  12          HG22      ILE  12   5.661   1.685 -13.110
    8   HG23  ILE  12          HG23      ILE  12   6.272   2.525 -14.533
    9   HD11  ILE  12          HD11      ILE  12   4.713  -0.005 -12.615
   10   HD13  ILE  12          HD12      ILE  12   3.299  -1.027 -12.804
   11   HD12  ILE  12          HD13      ILE  12   3.107   0.687 -12.460

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.812 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.826   3.928 -17.792
    5   HG13  ILE  13          HG13      ILE  13   5.626   4.708 -19.358
    6   HG21  ILE  13          HG21      ILE  13   6.355   7.586 -17.377
    7   HG23  ILE  13          HG22      ILE  13   4.735   8.039 -17.908
    8   HG22  ILE  13          HG23      ILE  13   5.876   7.343 -19.057
    9   HD12  ILE  13          HD11      ILE  13   8.038   4.426 -18.243
   10   HD11  ILE  13          HD12      ILE  13   7.569   5.924 -17.441
   11   HD13  ILE  13          HD13      ILE  13   7.630   5.848 -19.201

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   56
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   56
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   56
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   56
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   56
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   56
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   56
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   56
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   56
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   56
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   56
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   56
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   56
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   56
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   56
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   56
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   56
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   56
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   56
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   56
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.076   7.011  -8.736
    4    HB3  HIS  52           HB3      HIS  52  -7.505   7.706  -9.500
    5    HD1  HIS  52           HD1      HIS  52  -9.771   6.372  -9.211
    6    HD2  HIS  52           HD2      HIS  52  -6.609   4.959  -6.892
    7    HE1  HIS  52           HE1      HIS  52 -10.787   4.835  -7.481
    8    HE2  HIS  52           HE2      HIS  52  -8.874   3.968  -6.050

  No H/Q in entry =           8
  In of MODEL   56
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   56
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   56
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   56
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.900   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -11.429   4.712 -10.193
    5   HG21  THR  56          HG21      THR  56 -13.308   1.674 -10.743
    6   HG23  THR  56          HG22      THR  56 -13.815   3.359 -10.861
    7   HG22  THR  56          HG23      THR  56 -12.941   2.800  -9.437

  No H/Q in entry =           7
  In of MODEL   56
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   56
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.668  -1.967 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.923  -4.333  -9.011
    5   HG13  ILE  59          HG13      ILE  59  -9.327  -4.418  -9.739
    6   HG23  ILE  59          HG21      ILE  59 -11.924  -1.113 -10.312
    7   HG22  ILE  59          HG22      ILE  59 -11.499  -1.684  -8.719
    8   HG21  ILE  59          HG23      ILE  59 -12.552  -2.649  -9.741
    9   HD11  ILE  59          HD11      ILE  59  -8.841  -2.251  -8.377
   10   HD13  ILE  59          HD12      ILE  59  -8.838  -3.800  -7.535
   11   HD12  ILE  59          HD13      ILE  59 -10.242  -2.739  -7.424

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   56
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   56
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   56
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   56
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   56
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   56
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   56
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   56
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   56
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LEU  74           H        LEU  74  -3.295  -7.031 -13.325
    2    HA   LEU  74           HA       LEU  74  -3.876  -4.372 -12.709
    3    HB2  LEU  74           HB2      LEU  74  -5.546  -6.143 -12.724
    4    HB3  LEU  74           HB3      LEU  74  -4.736  -6.964 -11.396
    5    HG   LEU  74           HG       LEU  74  -5.201  -5.014  -9.937
    6   HD12  LEU  74          HD11      LEU  74  -7.003  -3.423 -10.901
    7   HD11  LEU  74          HD12      LEU  74  -6.480  -4.005 -12.480
    8   HD13  LEU  74          HD13      LEU  74  -5.338  -3.175 -11.424
    9   HD23  LEU  74          HD21      LEU  74  -7.816  -5.847 -11.209
   10   HD22  LEU  74          HD22      LEU  74  -7.427  -5.661  -9.507
   11   HD21  LEU  74          HD23      LEU  74  -6.805  -7.043 -10.401

  No H/Q in entry =          11
  In of MODEL   56
    1    H    VAL  75           H        VAL  75  -2.181  -6.815 -10.911
    2    HA   VAL  75           HA       VAL  75  -1.922  -5.434  -8.444
    3    HB   VAL  75           HB       VAL  75  -0.272  -7.628  -9.711
    4   HG11  VAL  75          HG11      VAL  75  -0.071  -6.452  -6.920
    5   HG13  VAL  75          HG12      VAL  75   1.150  -6.314  -8.185
    6   HG12  VAL  75          HG13      VAL  75   0.780  -7.889  -7.486
    7   HG22  VAL  75          HG21      VAL  75  -2.505  -8.345  -9.070
    8   HG21  VAL  75          HG22      VAL  75  -2.364  -7.540  -7.506
    9   HG23  VAL  75          HG23      VAL  75  -1.375  -8.955  -7.862

  No H/Q in entry =           9
  In of MODEL   56
    1    H    HIS  76           H        HIS  76   0.281  -5.633 -11.371
    2    HA   HIS  76           HA       HIS  76   2.392  -4.085 -10.363
    3    HB2  HIS  76           HB2      HIS  76   2.275  -5.401 -12.572
    4    HB3  HIS  76           HB3      HIS  76   1.512  -3.957 -13.240
    5    HD1  HIS  76           HD1      HIS  76   3.383  -2.958 -14.604
    6    HD2  HIS  76           HD2      HIS  76   4.610  -3.949 -10.746
    7    HE1  HIS  76           HE1      HIS  76   5.731  -2.047 -14.343

  No H/Q in entry =           7
  In of MODEL   56
    1    H    ALA  77           H        ALA  77  -0.555  -3.101 -12.092
    2    HA   ALA  77           HA       ALA  77   0.100  -0.326 -12.120
    3    HB2  ALA  77           HB1      ALA  77  -1.505  -0.911 -13.707
    4    HB3  ALA  77           HB2      ALA  77  -2.492  -0.163 -12.451
    5    HB1  ALA  77           HB3      ALA  77  -2.409  -1.920 -12.576

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLN  78           H        GLN  78  -1.839  -2.360  -9.939
    2    HA   GLN  78           HA       GLN  78  -2.779  -0.232  -8.317
    3    HB2  GLN  78           HB2      GLN  78  -3.635  -2.656  -8.465
    4    HB3  GLN  78           HB3      GLN  78  -2.320  -3.057  -7.360
    5    HG2  GLN  78           HG2      GLN  78  -3.170  -1.389  -5.753
    6    HG3  GLN  78           HG3      GLN  78  -4.498  -1.015  -6.848
    7   HE21  GLN  78          HE21      GLN  78  -5.672  -1.805  -4.698
    8   HE22  GLN  78          HE22      GLN  78  -6.041  -3.460  -4.643

  No H/Q in entry =           8
  In of MODEL   56
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   56
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.289   0.927 -10.479
    4    HB3  HIS  80           HB3      HIS  80   3.011   2.525 -10.282
    5    HD1  HIS  80           HD1      HIS  80   5.477   2.680 -10.596
    6    HD2  HIS  80           HD2      HIS  80   4.258  -1.242  -9.886
    7    HE1  HIS  80           HE1      HIS  80   7.546   1.228 -10.842
    8    HE2  HIS  80           HE2      HIS  80   6.815  -1.168 -10.413

  No H/Q in entry =           8
  In of MODEL   56
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   56
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   56
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   56
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   56
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   56
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   56
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   56
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   56
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   56
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   56
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   56
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   56
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   56
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   56
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   56
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   56
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   56
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   56
    1    H    PHE   9           H        PHE   9 -21.291   0.638  -3.916
    2    HA   PHE   9           HA       PHE   9 -18.531   1.538  -4.532
    3    HB2  PHE   9           HB2      PHE   9 -20.367   2.446  -2.308
    4    HB3  PHE   9           HB3      PHE   9 -18.659   2.865  -2.426
    5    HD1  PHE   9           HD1      PHE   9 -22.008   3.499  -3.690
    6    HD2  PHE   9           HD2      PHE   9 -17.828   4.196  -4.380
    7    HE1  PHE   9           HE1      PHE   9 -22.574   5.347  -5.241
    8    HE2  PHE   9           HE2      PHE   9 -18.394   6.045  -5.935
    9    HZ   PHE   9           HZ       PHE   9 -20.767   6.620  -6.365

  No H/Q in entry =           9
  In of MODEL   56
    1    H    CYS  10           H        CYS  10 -16.937   0.928  -3.221
    2    HA   CYS  10           HA       CYS  10 -17.194  -0.739  -0.886
    3    HB2  CYS  10           HB2      CYS  10 -16.117  -2.695  -1.672
    4    HB3  CYS  10           HB3      CYS  10 -17.285  -2.312  -2.940

  No H/Q in entry =           4
  In of MODEL   56
    1    H    SER  11           H        SER  11 -14.446  -1.445  -0.418
    2    HA   SER  11           HA       SER  11 -13.479   1.178  -0.028
    3    HB2  SER  11           HB2      SER  11 -11.202  -0.203   0.227
    4    HB3  SER  11           HB3      SER  11 -12.442  -0.224   1.464
    5    HG   SER  11           HG       SER  11 -13.238  -2.038  -0.125

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA  12           H        ALA  12 -12.196  -1.339  -2.351
    2    HA   ALA  12           HA       ALA  12 -10.802   0.893  -3.673
    3    HB3  ALA  12           HB1      ALA  12  -9.053  -0.507  -3.570
    4    HB2  ALA  12           HB2      ALA  12  -9.882  -1.537  -4.735
    5    HB1  ALA  12           HB3      ALA  12 -10.074  -1.830  -3.008

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLY  13           H        GLY  13 -13.003  -1.801  -4.228
    2    HA3  GLY  13           HA2      GLY  13 -14.765  -1.498  -5.872
    3    HA2  GLY  13           HA3      GLY  13 -13.585  -0.694  -6.899

  No H/Q in entry =           3
  In of MODEL   56
    1    H    MET  14           H        MET  14 -12.689  -3.652  -5.185
    2    HA   MET  14           HA       MET  14 -12.533  -4.960  -7.822
    3    HB2  MET  14           HB2      MET  14 -10.453  -4.698  -6.404
    4    HB3  MET  14           HB3      MET  14 -11.169  -5.863  -5.289
    5    HG2  MET  14           HG2      MET  14 -11.515  -7.276  -7.504
    6    HG3  MET  14           HG3      MET  14 -10.188  -6.275  -8.091
    7    HE1  MET  14           HE1      MET  14  -8.097  -5.846  -6.886
    8    HE3  MET  14           HE2      MET  14  -7.760  -7.246  -7.899
    9    HE2  MET  14           HE3      MET  14  -7.148  -7.194  -6.248

  No H/Q in entry =           9
  In of MODEL   56
    1    H    SER  15           H        SER  15 -12.842  -6.282  -4.557
    2    HA   SER  15           HA       SER  15 -14.075  -8.631  -5.183
    3    HB2  SER  15           HB2      SER  15 -15.072  -7.074  -2.821
    4    HB3  SER  15           HB3      SER  15 -14.786  -8.809  -2.970
    5    HG   SER  15           HG       SER  15 -12.500  -7.892  -3.477

  No H/Q in entry =           5
  In of MODEL   56
    1    H    THR  16           H        THR  16 -15.517  -5.456  -5.462
    2    HA   THR  16           HA       THR  16 -18.195  -6.680  -5.632
    3    HB   THR  16           HB       THR  16 -17.452  -3.761  -5.943
    4    HG1  THR  16           HG1      THR  16 -16.858  -4.522  -3.897
    5   HG22  THR  16          HG21      THR  16 -19.915  -3.626  -5.111
    6   HG21  THR  16          HG22      THR  16 -20.012  -5.312  -5.624
    7   HG23  THR  16          HG23      THR  16 -19.618  -4.054  -6.797

  No H/Q in entry =           7
  In of MODEL   56
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   56
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   56
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   56
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   56
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   56
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   56
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   56
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   56
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   56
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   56
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   56
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   56
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   56
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   56
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   56
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   56
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   56
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   56
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   56
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   56
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   56
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   56
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   56
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   56
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   56
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   56
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   56
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.437   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.054  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.563  -6.667   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.794  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.697   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.015  -5.617  -0.004
    7    HD3  PRO  58           HD3      PRO  58 -22.790  -5.738  -0.011

  No H/Q in entry =           7
  In of MODEL   56
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   56
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   56
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   56
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   56
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   56
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   56
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   56
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   56
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   56
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   56
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   56
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   56
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   56
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   56
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   56
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   56
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   56
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   56
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   56
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   56
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   56
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   56
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   56
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   56
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   56
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   56
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   56
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   56
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   56
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   56
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   56
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   56
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   56
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   56
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   56
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   56
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   56
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   57
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   57
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.283 -14.275  -2.735
    4    HB3  GLU   5           HB3      GLU   5 -14.691 -13.938  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.595 -11.566  -2.340
    6    HG3  GLU   5           HG3      GLU   5 -13.151 -11.859  -3.309

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   57
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   57
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   57
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.702  -8.441   1.529
    4    HB3  MET   9           HB3      MET   9 -15.032  -6.717   1.359
    5    HG2  MET   9           HG2      MET   9 -14.215  -6.779  -0.961
    6    HG3  MET   9           HG3      MET   9 -13.864  -8.499  -0.797
    7    HE2  MET   9           HE1      MET   9 -16.816  -6.009  -1.934
    8    HE1  MET   9           HE2      MET   9 -16.229  -5.773  -0.291
    9    HE3  MET   9           HE3      MET   9 -17.858  -6.373  -0.556

  No H/Q in entry =           9
  In of MODEL   57
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   57
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.943  -4.386   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.237  -6.170   0.969
    5   HG13  ILE  12          HG13      ILE  12  -9.700  -5.426  -0.549
    6   HG21  ILE  12          HG21      ILE  12 -10.248  -2.042   0.922
    7   HG23  ILE  12          HG22      ILE  12 -10.273  -2.960  -0.585
    8   HG22  ILE  12          HG23      ILE  12  -8.740  -2.624   0.229
    9   HD12  ILE  12          HD11      ILE  12  -7.159  -4.984   1.028
   10   HD11  ILE  12          HD12      ILE  12  -7.649  -3.964  -0.313
   11   HD13  ILE  12          HD13      ILE  12  -7.337  -5.674  -0.577

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.494  -3.073   2.667
    5   HG13  ILE  13          HG13      ILE  13 -14.926  -3.521   3.579
    6   HG23  ILE  13          HG21      ILE  13 -13.692  -1.806   6.727
    7   HG22  ILE  13          HG22      ILE  13 -15.151  -1.913   5.741
    8   HG21  ILE  13          HG23      ILE  13 -13.950  -0.664   5.407
    9   HD11  ILE  13          HD11      ILE  13 -14.207  -0.619   3.422
   10   HD13  ILE  13          HD12      ILE  13 -15.793  -1.371   3.543
   11   HD12  ILE  13          HD13      ILE  13 -14.930  -1.381   2.007

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   57
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   57
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   57
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   57
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   57
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   57
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   57
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   57
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   57
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   57
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   57
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   57
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   57
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   57
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   57
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   57
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   57
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   57
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   57
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   57
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.941  -6.670  10.560
    4    HB3  HIS  52           HB3      HIS  52  -1.114  -7.744  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.209 -10.079  11.782
    6    HD2  HIS  52           HD2      HIS  52   1.298  -7.193   8.979
    7    HE1  HIS  52           HE1      HIS  52   2.428 -10.823  10.815
    8    HE2  HIS  52           HE2      HIS  52   3.107  -9.072   9.104

  No H/Q in entry =           8
  In of MODEL   57
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   57
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   57
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   57
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.217  10.983
    4    HG1  THR  56           HG1      THR  56   1.020 -12.497  10.460
    5   HG23  THR  56          HG21      THR  56   0.909 -15.160  11.677
    6   HG22  THR  56          HG22      THR  56   1.849 -14.287  10.469
    7   HG21  THR  56          HG23      THR  56   0.914 -15.705  10.000

  No H/Q in entry =           7
  In of MODEL   57
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   57
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.299 -14.626   4.871
    4   HG12  ILE  59          HG12      ILE  59   2.450 -16.271   3.536
    5   HG13  ILE  59          HG13      ILE  59   1.203 -15.445   2.615
    6   HG23  ILE  59          HG21      ILE  59   1.939 -14.949   6.438
    7   HG22  ILE  59          HG22      ILE  59   2.575 -16.363   5.642
    8   HG21  ILE  59          HG23      ILE  59   1.142 -16.497   6.649
    9   HD13  ILE  59          HD11      ILE  59   3.023 -13.915   2.703
   10   HD12  ILE  59          HD12      ILE  59   3.284 -14.219   4.421
   11   HD11  ILE  59          HD13      ILE  59   1.859 -13.326   3.891

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   57
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   57
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   57
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   57
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   57
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   57
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   57
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   57
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LEU  74           H        LEU  74  -4.299 -13.684  -2.343
    2    HA   LEU  74           HA       LEU  74  -3.879 -12.586   0.162
    3    HB2  LEU  74           HB2      LEU  74  -2.972 -14.725  -0.525
    4    HB3  LEU  74           HB3      LEU  74  -1.965 -13.950  -1.742
    5    HG   LEU  74           HG       LEU  74  -0.718 -12.786   0.036
    6   HD13  LEU  74          HD11      LEU  74  -2.238 -12.513   1.810
    7   HD12  LEU  74          HD12      LEU  74  -1.162 -13.773   2.411
    8   HD11  LEU  74          HD13      LEU  74  -2.746 -14.201   1.764
    9   HD22  LEU  74          HD21      LEU  74   0.615 -14.651   0.561
   10   HD21  LEU  74          HD22      LEU  74  -0.311 -15.266  -0.796
   11   HD23  LEU  74          HD23      LEU  74  -0.785 -15.682   0.846

  No H/Q in entry =          11
  In of MODEL   57
    1    H    VAL  75           H        VAL  75  -2.643 -11.580  -2.936
    2    HA   VAL  75           HA       VAL  75  -0.702  -9.749  -1.884
    3    HB   VAL  75           HB       VAL  75  -1.981  -9.880  -4.633
    4   HG11  VAL  75          HG11      VAL  75   0.157  -8.197  -3.418
    5   HG13  VAL  75          HG12      VAL  75  -0.987  -7.808  -4.702
    6   HG12  VAL  75          HG13      VAL  75   0.435  -8.787  -5.055
    7   HG21  VAL  75          HG21      VAL  75   0.498 -11.161  -3.443
    8   HG23  VAL  75          HG22      VAL  75   0.276 -10.978  -5.183
    9   HG22  VAL  75          HG23      VAL  75  -0.856 -11.955  -4.249

  No H/Q in entry =           9
  In of MODEL   57
    1    H    HIS  76           H        HIS  76  -4.295  -9.336  -3.257
    2    HA   HIS  76           HA       HIS  76  -4.635  -6.570  -3.154
    3    HB2  HIS  76           HB2      HIS  76  -6.354  -8.150  -4.044
    4    HB3  HIS  76           HB3      HIS  76  -6.734  -8.630  -2.396
    5    HD1  HIS  76           HD1      HIS  76  -6.000  -5.009  -2.764
    6    HD2  HIS  76           HD2      HIS  76  -9.406  -7.432  -2.965
    7    HE1  HIS  76           HE1      HIS  76  -8.010  -3.451  -2.642

  No H/Q in entry =           7
  In of MODEL   57
    1    H    ALA  77           H        ALA  77  -4.695  -8.948  -0.580
    2    HA   ALA  77           HA       ALA  77  -5.514  -7.030   1.441
    3    HB3  ALA  77           HB1      ALA  77  -6.244  -9.175   1.980
    4    HB2  ALA  77           HB2      ALA  77  -4.790  -9.027   2.965
    5    HB1  ALA  77           HB3      ALA  77  -4.741  -9.935   1.454

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLN  78           H        GLN  78  -2.501  -8.762   0.558
    2    HA   GLN  78           HA       GLN  78  -0.917  -7.704   2.632
    3    HB2  GLN  78           HB2      GLN  78  -0.390  -9.643   1.038
    4    HB3  GLN  78           HB3      GLN  78   0.111  -8.409  -0.118
    5    HG2  GLN  78           HG2      GLN  78   1.706  -7.519   1.555
    6    HG3  GLN  78           HG3      GLN  78   1.237  -8.801   2.669
    7   HE21  GLN  78          HE21      GLN  78   0.965 -10.437  -0.091
    8   HE22  GLN  78          HE22      GLN  78   2.557 -10.983  -0.311

  No H/Q in entry =           8
  In of MODEL   57
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   57
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.204   1.202
    4    HB3  HIS  80           HB3      HIS  80  -5.395  -2.780   2.190
    5    HD1  HIS  80           HD1      HIS  80  -6.713  -0.961   1.109
    6    HD2  HIS  80           HD2      HIS  80  -5.022  -3.526  -1.710
    7    HE1  HIS  80           HE1      HIS  80  -7.578  -0.208  -1.157
    8    HE2  HIS  80           HE2      HIS  80  -6.553  -1.767  -2.885

  No H/Q in entry =           8
  In of MODEL   57
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   57
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   57
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   57
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   57
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   57
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   57
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   57
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   57
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   57
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   57
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   57
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   57
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   57
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   57
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.415 -20.427  -4.404
    4    HB3  GLU   5           HB3      GLU   5  11.852 -20.885  -3.485
    5    HG2  GLU   5           HG2      GLU   5  10.919 -19.860  -1.467
    6    HG3  GLU   5           HG3      GLU   5   9.502 -19.329  -2.370

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   57
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   57
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   57
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.027 -16.711   0.850
    4    HB3  MET   9           HB3      MET   9  13.742 -16.162   2.501
    5    HG2  MET   9           HG2      MET   9  11.328 -16.551   2.229
    6    HG3  MET   9           HG3      MET   9  11.594 -17.078   0.567
    7    HE2  MET   9           HE1      MET   9  11.386 -18.595   4.323
    8    HE1  MET   9           HE2      MET   9  12.546 -17.293   4.071
    9    HE3  MET   9           HE3      MET   9  13.121 -18.924   4.409

  No H/Q in entry =           9
  In of MODEL   57
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   57
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.312
    4   HG12  ILE  12          HG12      ILE  12  10.851 -11.552  -0.016
    5   HG13  ILE  12          HG13      ILE  12   9.646 -12.264   1.038
    6   HG23  ILE  12          HG21      ILE  12  10.858 -10.583   4.136
    7   HG22  ILE  12          HG22      ILE  12   9.509 -11.470   3.428
    8   HG21  ILE  12          HG23      ILE  12   9.735  -9.762   3.055
    9   HD12  ILE  12          HD11      ILE  12   9.835  -9.399   0.101
   10   HD11  ILE  12          HD12      ILE  12   8.777  -9.909   1.405
   11   HD13  ILE  12          HD13      ILE  12   8.558 -10.565  -0.211

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.104 -11.634   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.815 -12.625   4.652
    5   HG13  ILE  13          HG13      ILE  13  15.293 -13.528   4.964
    6   HG23  ILE  13          HG21      ILE  13  17.359 -10.398   5.436
    7   HG22  ILE  13          HG22      ILE  13  17.083 -11.963   6.200
    8   HG21  ILE  13          HG23      ILE  13  16.112 -10.568   6.672
    9   HD11  ILE  13          HD11      ILE  13  14.417 -11.555   7.034
   10   HD13  ILE  13          HD12      ILE  13  15.237 -13.103   7.233
   11   HD12  ILE  13          HD13      ILE  13  13.507 -13.059   6.896

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   57
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   57
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   57
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   57
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   57
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   57
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   57
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   57
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   57
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   57
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   57
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   57
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   57
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   57
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   57
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   57
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   57
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   57
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   57
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   57
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.309  -1.676  -5.688
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.649
    5    HD1  HIS  52           HD1      HIS  52  17.429  -2.039  -9.301
    6    HD2  HIS  52           HD2      HIS  52  14.046  -0.924  -7.135
    7    HE1  HIS  52           HE1      HIS  52  15.760  -1.153 -10.986
    8    HE2  HIS  52           HE2      HIS  52  13.692  -0.468  -9.682

  No H/Q in entry =           8
  In of MODEL   57
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   57
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   57
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   57
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.062
    4    HG1  THR  56           HG1      THR  56  16.252  -3.206 -11.647
    5   HG23  THR  56          HG21      THR  56  17.770  -4.138 -13.971
    6   HG22  THR  56          HG22      THR  56  16.173  -3.491 -13.597
    7   HG21  THR  56          HG23      THR  56  16.331  -5.112 -14.267

  No H/Q in entry =           7
  In of MODEL   57
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   57
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.799  -7.174 -12.516
    4   HG12  ILE  59          HG12      ILE  59   9.954  -6.952 -14.898
    5   HG13  ILE  59          HG13      ILE  59   9.513  -7.857 -13.458
    6   HG23  ILE  59          HG21      ILE  59  12.589  -5.443 -13.793
    7   HG22  ILE  59          HG22      ILE  59  11.822  -6.022 -15.249
    8   HG21  ILE  59          HG23      ILE  59  13.332  -6.740 -14.712
    9   HD13  ILE  59          HD11      ILE  59   8.634  -5.676 -13.106
   10   HD12  ILE  59          HD12      ILE  59  10.117  -4.911 -13.675
   11   HD11  ILE  59          HD13      ILE  59  10.097  -5.751 -12.125

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   57
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   57
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   57
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   57
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   57
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   57
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   57
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   57
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LEU  74           H        LEU  74   7.007 -13.171  -8.614
    2    HA   LEU  74           HA       LEU  74   8.958 -11.253  -8.150
    3    HB2  LEU  74           HB2      LEU  74   8.293 -11.952 -10.372
    4    HB3  LEU  74           HB3      LEU  74   6.668 -11.320 -10.127
    5    HG   LEU  74           HG       LEU  74   7.591  -9.036  -9.954
    6   HD13  LEU  74          HD11      LEU  74   9.774  -9.291  -9.117
    7   HD12  LEU  74          HD12      LEU  74  10.053  -8.868 -10.805
    8   HD11  LEU  74          HD13      LEU  74  10.180 -10.548 -10.283
    9   HD22  LEU  74          HD21      LEU  74   7.779  -8.761 -12.281
   10   HD21  LEU  74          HD22      LEU  74   7.024 -10.342 -12.187
   11   HD23  LEU  74          HD23      LEU  74   8.757 -10.215 -12.464

  No H/Q in entry =          11
  In of MODEL   57
    1    H    VAL  75           H        VAL  75   5.483 -11.025  -7.846
    2    HA   VAL  75           HA       VAL  75   5.380  -8.228  -7.296
    3    HB   VAL  75           HB       VAL  75   3.442 -10.443  -6.559
    4   HG11  VAL  75          HG11      VAL  75   3.394  -7.471  -6.241
    5   HG13  VAL  75          HG12      VAL  75   2.714  -8.720  -5.199
    6   HG12  VAL  75          HG13      VAL  75   1.893  -8.277  -6.695
    7   HG21  VAL  75          HG21      VAL  75   3.706  -8.607  -8.957
    8   HG23  VAL  75          HG22      VAL  75   2.185  -9.405  -8.557
    9   HG22  VAL  75          HG23      VAL  75   3.610 -10.368  -8.937

  No H/Q in entry =           9
  In of MODEL   57
    1    H    HIS  76           H        HIS  76   5.568 -11.195  -5.151
    2    HA   HIS  76           HA       HIS  76   5.297  -9.978  -2.658
    3    HB2  HIS  76           HB2      HIS  76   5.644 -12.500  -3.327
    4    HB3  HIS  76           HB3      HIS  76   7.344 -12.133  -3.021
    5    HD1  HIS  76           HD1      HIS  76   6.476  -9.942  -0.744
    6    HD2  HIS  76           HD2      HIS  76   5.529 -14.001  -0.856
    7    HE1  HIS  76           HE1      HIS  76   5.974 -10.627   1.641

  No H/Q in entry =           7
  In of MODEL   57
    1    H    ALA  77           H        ALA  77   8.225 -10.434  -4.624
    2    HA   ALA  77           HA       ALA  77   9.959  -9.128  -2.762
    3    HB1  ALA  77           HB1      ALA  77  11.123 -10.511  -4.218
    4    HB3  ALA  77           HB2      ALA  77  11.404  -8.932  -4.950
    5    HB2  ALA  77           HB3      ALA  77  10.180 -10.009  -5.622

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLN  78           H        GLN  78   8.195  -8.079  -5.661
    2    HA   GLN  78           HA       GLN  78   9.287  -5.476  -5.796
    3    HB2  GLN  78           HB2      GLN  78   7.898  -6.742  -7.551
    4    HB3  GLN  78           HB3      GLN  78   6.485  -6.210  -6.641
    5    HG2  GLN  78           HG2      GLN  78   7.225  -3.863  -6.890
    6    HG3  GLN  78           HG3      GLN  78   8.601  -4.408  -7.846
    7   HE21  GLN  78          HE21      GLN  78   6.457  -6.598  -8.815
    8   HE22  GLN  78          HE22      GLN  78   5.686  -5.772 -10.082

  No H/Q in entry =           8
  In of MODEL   57
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   57
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.192  -7.441  -0.522
    4    HB3  HIS  80           HB3      HIS  80  10.028  -6.562   0.760
    5    HD1  HIS  80           HD1      HIS  80   9.347  -7.096   3.095
    6    HD2  HIS  80           HD2      HIS  80   6.448  -8.272   0.339
    7    HE1  HIS  80           HE1      HIS  80   7.548  -8.308   4.416
    8    HE2  HIS  80           HE2      HIS  80   5.774  -9.030   2.745

  No H/Q in entry =           8
  In of MODEL   57
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   57
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   57
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   57
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   57
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   57
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   57
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   57
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   57
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   57
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   57
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   57
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   57
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   57
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   57
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.093  -6.378 -21.745
    4    HB3  GLU   5           HB3      GLU   5   0.436  -5.139 -22.953
    5    HG2  GLU   5           HG2      GLU   5   2.487  -4.512 -21.749
    6    HG3  GLU   5           HG3      GLU   5   2.145  -5.722 -20.515

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   57
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   57
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   57
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.883   0.422 -20.998
    4    HB3  MET   9           HB3      MET   9   4.416   1.177 -20.557
    5    HG2  MET   9           HG2      MET   9   5.201  -0.953 -19.602
    6    HG3  MET   9           HG3      MET   9   3.664  -1.712 -20.018
    7    HE2  MET   9           HE1      MET   9   7.355  -1.083 -21.585
    8    HE1  MET   9           HE2      MET   9   6.476   0.344 -21.041
    9    HE3  MET   9           HE3      MET   9   6.771   0.102 -22.761

  No H/Q in entry =           9
  In of MODEL   57
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   57
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.477   1.687 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.660   0.285 -14.878
    5   HG13  ILE  12          HG13      ILE  12   4.202  -0.540 -14.968
    6   HG23  ILE  12          HG21      ILE  12   6.266   2.522 -14.482
    7   HG22  ILE  12          HG22      ILE  12   6.298   0.759 -14.461
    8   HG21  ILE  12          HG23      ILE  12   5.631   1.645 -13.091
    9   HD12  ILE  12          HD11      ILE  12   2.883   0.662 -12.533
   10   HD11  ILE  12          HD12      ILE  12   4.560   0.144 -12.555
   11   HD13  ILE  12          HD13      ILE  12   3.274  -1.023 -12.837

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.814 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.818   3.925 -17.796
    5   HG13  ILE  13          HG13      ILE  13   5.626   4.711 -19.360
    6   HG23  ILE  13          HG21      ILE  13   4.769   8.052 -17.820
    7   HG22  ILE  13          HG22      ILE  13   5.794   7.366 -19.081
    8   HG21  ILE  13          HG23      ILE  13   6.416   7.547 -17.441
    9   HD11  ILE  13          HD11      ILE  13   7.573   5.917 -17.439
   10   HD13  ILE  13          HD12      ILE  13   7.637   5.831 -19.198
   11   HD12  ILE  13          HD13      ILE  13   8.029   4.410 -18.231

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   57
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   57
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   57
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   57
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   57
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   57
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   57
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   57
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   57
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   57
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   57
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   57
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   57
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   57
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   57
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   57
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   57
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   57
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   57
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   57
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.031  -8.748
    4    HB3  HIS  52           HB3      HIS  52  -7.525   7.695  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.736   6.181  -9.281
    6    HD2  HIS  52           HD2      HIS  52  -6.573   5.115  -6.785
    7    HE1  HIS  52           HE1      HIS  52 -10.708   4.669  -7.505
    8    HE2  HIS  52           HE2      HIS  52  -8.795   4.013  -5.967

  No H/Q in entry =           8
  In of MODEL   57
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   57
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   57
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   57
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.897   3.590 -12.098
    4    HG1  THR  56           HG1      THR  56 -11.237   3.708  -9.407
    5   HG23  THR  56          HG21      THR  56 -13.819   3.367 -10.846
    6   HG22  THR  56          HG22      THR  56 -12.942   2.769  -9.438
    7   HG21  THR  56          HG23      THR  56 -13.307   1.681 -10.774

  No H/Q in entry =           7
  In of MODEL   57
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   57
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.641  -1.998 -10.397
    4   HG12  ILE  59          HG12      ILE  59 -11.014  -4.246  -8.940
    5   HG13  ILE  59          HG13      ILE  59  -9.470  -4.503  -9.736
    6   HG23  ILE  59          HG21      ILE  59 -11.651  -0.915 -10.070
    7   HG22  ILE  59          HG22      ILE  59 -11.668  -1.972  -8.683
    8   HG21  ILE  59          HG23      ILE  59 -12.599  -2.390 -10.113
    9   HD13  ILE  59          HD11      ILE  59  -8.814  -3.871  -7.580
   10   HD12  ILE  59          HD12      ILE  59 -10.113  -2.690  -7.434
   11   HD11  ILE  59          HD13      ILE  59  -8.725  -2.349  -8.465

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   57
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   57
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   57
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   57
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   57
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   57
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   57
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   57
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   57
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LEU  74           H        LEU  74  -3.309  -7.012 -13.420
    2    HA   LEU  74           HA       LEU  74  -3.950  -4.380 -12.840
    3    HB2  LEU  74           HB2      LEU  74  -5.590  -6.166 -12.867
    4    HB3  LEU  74           HB3      LEU  74  -4.796  -6.972 -11.520
    5    HG   LEU  74           HG       LEU  74  -5.335  -5.049 -10.065
    6   HD13  LEU  74          HD11      LEU  74  -5.439  -3.182 -11.490
    7   HD12  LEU  74          HD12      LEU  74  -7.134  -3.468 -11.100
    8   HD11  LEU  74          HD13      LEU  74  -6.483  -4.002 -12.649
    9   HD22  LEU  74          HD21      LEU  74  -7.552  -5.742  -9.692
   10   HD21  LEU  74          HD22      LEU  74  -6.935  -7.075 -10.653
   11   HD23  LEU  74          HD23      LEU  74  -7.911  -5.825 -11.416

  No H/Q in entry =          11
  In of MODEL   57
    1    H    VAL  75           H        VAL  75  -2.295  -6.751 -10.884
    2    HA   VAL  75           HA       VAL  75  -2.167  -5.194  -8.499
    3    HB   VAL  75           HB       VAL  75  -0.396  -7.466  -9.436
    4   HG11  VAL  75          HG11      VAL  75  -0.539  -5.856  -6.917
    5   HG13  VAL  75          HG12      VAL  75   0.867  -6.550  -7.722
    6   HG12  VAL  75          HG13      VAL  75  -0.209  -7.583  -6.782
    7   HG21  VAL  75          HG21      VAL  75  -2.937  -7.331  -7.784
    8   HG23  VAL  75          HG22      VAL  75  -1.849  -8.718  -7.714
    9   HG22  VAL  75          HG23      VAL  75  -2.631  -8.286  -9.233

  No H/Q in entry =           9
  In of MODEL   57
    1    H    HIS  76           H        HIS  76   0.135  -5.643 -11.310
    2    HA   HIS  76           HA       HIS  76   2.302  -4.178 -10.338
    3    HB2  HIS  76           HB2      HIS  76   2.132  -5.501 -12.528
    4    HB3  HIS  76           HB3      HIS  76   1.408  -4.046 -13.214
    5    HD1  HIS  76           HD1      HIS  76   3.248  -3.004 -14.558
    6    HD2  HIS  76           HD2      HIS  76   4.576  -4.216 -10.797
    7    HE1  HIS  76           HE1      HIS  76   5.638  -2.192 -14.346

  No H/Q in entry =           7
  In of MODEL   57
    1    H    ALA  77           H        ALA  77  -0.577  -3.048 -12.097
    2    HA   ALA  77           HA       ALA  77   0.201  -0.298 -12.072
    3    HB1  ALA  77           HB1      ALA  77  -1.386  -0.756 -13.707
    4    HB2  ALA  77           HB2      ALA  77  -2.389  -0.041 -12.446
    5    HB3  ALA  77           HB3      ALA  77  -2.341  -1.792 -12.645

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLN  78           H        GLN  78  -1.830  -2.315  -9.977
    2    HA   GLN  78           HA       GLN  78  -2.776  -0.225  -8.318
    3    HB2  GLN  78           HB2      GLN  78  -3.617  -2.648  -8.505
    4    HB3  GLN  78           HB3      GLN  78  -2.300  -3.063  -7.408
    5    HG2  GLN  78           HG2      GLN  78  -3.159  -1.407  -5.780
    6    HG3  GLN  78           HG3      GLN  78  -4.505  -1.059  -6.863
    7   HE21  GLN  78          HE21      GLN  78  -4.197  -4.190  -7.503
    8   HE22  GLN  78          HE22      GLN  78  -5.139  -4.879  -6.270

  No H/Q in entry =           8
  In of MODEL   57
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   57
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.298   0.914 -10.477
    4    HB3  HIS  80           HB3      HIS  80   2.995   2.523 -10.286
    5    HD1  HIS  80           HD1      HIS  80   5.453   2.712 -10.626
    6    HD2  HIS  80           HD2      HIS  80   4.306  -1.219  -9.850
    7    HE1  HIS  80           HE1      HIS  80   7.546   1.293 -10.860
    8    HE2  HIS  80           HE2      HIS  80   6.858  -1.108 -10.390

  No H/Q in entry =           8
  In of MODEL   57
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   57
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   57
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   57
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   57
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   57
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   57
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   57
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   57
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   57
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   57
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   57
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   57
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   57
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   57
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   57
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   57
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   57
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   57
    1    H    PHE   9           H        PHE   9 -21.285   0.633  -3.910
    2    HA   PHE   9           HA       PHE   9 -18.526   1.524  -4.544
    3    HB2  PHE   9           HB2      PHE   9 -20.342   2.434  -2.304
    4    HB3  PHE   9           HB3      PHE   9 -18.634   2.849  -2.435
    5    HD1  PHE   9           HD1      PHE   9 -21.991   3.461  -3.711
    6    HD2  PHE   9           HD2      PHE   9 -17.813   4.214  -4.353
    7    HE1  PHE   9           HE1      PHE   9 -22.564   5.314  -5.254
    8    HE2  PHE   9           HE2      PHE   9 -18.385   6.067  -5.901
    9    HZ   PHE   9           HZ       PHE   9 -20.761   6.617  -6.351

  No H/Q in entry =           9
  In of MODEL   57
    1    H    CYS  10           H        CYS  10 -16.920   0.896  -3.251
    2    HA   CYS  10           HA       CYS  10 -17.176  -0.791  -0.926
    3    HB2  CYS  10           HB2      CYS  10 -16.110  -2.738  -1.733
    4    HB3  CYS  10           HB3      CYS  10 -17.256  -2.332  -3.013

  No H/Q in entry =           4
  In of MODEL   57
    1    H    SER  11           H        SER  11 -14.458  -1.476  -0.411
    2    HA   SER  11           HA       SER  11 -13.463   1.122  -0.011
    3    HB2  SER  11           HB2      SER  11 -12.553  -0.481   1.435
    4    HB3  SER  11           HB3      SER  11 -12.160  -1.581   0.131
    5    HG   SER  11           HG       SER  11 -11.023   0.978   0.162

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA  12           H        ALA  12 -12.203  -1.356  -2.383
    2    HA   ALA  12           HA       ALA  12 -10.819   0.891  -3.686
    3    HB3  ALA  12           HB1      ALA  12  -9.081  -0.524  -3.668
    4    HB2  ALA  12           HB2      ALA  12  -9.957  -1.541  -4.810
    5    HB1  ALA  12           HB3      ALA  12 -10.097  -1.840  -3.078

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLY  13           H        GLY  13 -12.911  -1.893  -4.339
    2    HA3  GLY  13           HA2      GLY  13 -14.738  -1.500  -5.948
    3    HA2  GLY  13           HA3      GLY  13 -13.545  -0.704  -6.967

  No H/Q in entry =           3
  In of MODEL   57
    1    H    MET  14           H        MET  14 -12.763  -3.697  -5.235
    2    HA   MET  14           HA       MET  14 -12.599  -4.996  -7.881
    3    HB2  MET  14           HB2      MET  14 -10.494  -4.696  -6.509
    4    HB3  MET  14           HB3      MET  14 -11.167  -5.865  -5.373
    5    HG2  MET  14           HG2      MET  14 -11.335  -7.539  -7.157
    6    HG3  MET  14           HG3      MET  14 -10.735  -6.371  -8.333
    7    HE3  MET  14           HE1      MET  14  -8.813  -9.262  -7.950
    8    HE2  MET  14           HE2      MET  14  -7.665  -8.105  -8.616
    9    HE1  MET  14           HE3      MET  14  -9.365  -8.008  -9.067

  No H/Q in entry =           9
  In of MODEL   57
    1    H    SER  15           H        SER  15 -12.852  -6.293  -4.585
    2    HA   SER  15           HA       SER  15 -14.079  -8.659  -5.195
    3    HB2  SER  15           HB2      SER  15 -13.401  -7.755  -2.890
    4    HB3  SER  15           HB3      SER  15 -15.024  -7.066  -2.830
    5    HG   SER  15           HG       SER  15 -14.273  -9.783  -3.157

  No H/Q in entry =           5
  In of MODEL   57
    1    H    THR  16           H        THR  16 -15.512  -5.484  -5.472
    2    HA   THR  16           HA       THR  16 -18.199  -6.696  -5.635
    3    HB   THR  16           HB       THR  16 -17.447  -3.778  -5.940
    4    HG1  THR  16           HG1      THR  16 -18.465  -3.938  -3.678
    5   HG22  THR  16          HG21      THR  16 -19.909  -3.644  -5.096
    6   HG21  THR  16          HG22      THR  16 -20.009  -5.325  -5.622
    7   HG23  THR  16          HG23      THR  16 -19.616  -4.059  -6.786

  No H/Q in entry =           7
  In of MODEL   57
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   57
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   57
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   57
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   57
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   57
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   57
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   57
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   57
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   57
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   57
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   57
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   57
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   57
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   57
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   57
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   57
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   57
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   57
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   57
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   57
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   57
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   57
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   57
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   57
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   57
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   57
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   57
    1    HA   PRO  58           HA       PRO  58 -23.312  -4.438   3.147
    2    HB2  PRO  58           HB2      PRO  58 -22.051  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.794
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.007
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   57
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   57
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   57
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   57
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   57
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   57
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   57
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   57
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   57
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   57
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   57
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   57
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   57
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   57
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   57
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   57
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   57
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   57
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   57
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   57
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   57
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   57
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   57
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   57
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   57
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   57
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   57
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   57
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   57
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   57
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   57
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   57
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   57
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   57
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   57
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   57
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   57
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   57
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   58
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   58
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.287 -14.282  -2.730
    4    HB3  GLU   5           HB3      GLU   5 -14.695 -13.929  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.571 -11.557  -2.350
    6    HG3  GLU   5           HG3      GLU   5 -13.137 -11.876  -3.326

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   58
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   58
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   58
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.706  -8.433   1.540
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.710   1.347
    5    HG2  MET   9           HG2      MET   9 -14.275  -6.784  -0.967
    6    HG3  MET   9           HG3      MET   9 -13.810  -8.476  -0.793
    7    HE1  MET   9           HE1      MET   9 -16.291  -5.859  -0.499
    8    HE3  MET   9           HE2      MET   9 -17.411  -6.737   0.537
    9    HE2  MET   9           HE3      MET   9 -17.809  -6.478  -1.154

  No H/Q in entry =           9
  In of MODEL   58
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   58
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.943  -4.386   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.230  -6.168   0.972
    5   HG13  ILE  12          HG13      ILE  12  -9.705  -5.431  -0.546
    6   HG22  ILE  12          HG21      ILE  12  -8.742  -2.620   0.197
    7   HG21  ILE  12          HG22      ILE  12 -10.244  -2.038   0.919
    8   HG23  ILE  12          HG23      ILE  12 -10.280  -2.983  -0.575
    9   HD11  ILE  12          HD11      ILE  12  -7.633  -3.964  -0.307
   10   HD13  ILE  12          HD12      ILE  12  -7.332  -5.670  -0.590
   11   HD12  ILE  12          HD13      ILE  12  -7.177  -5.006   1.030

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.605   5.236
    4   HG12  ILE  13          HG12      ILE  13 -13.493  -3.077   2.667
    5   HG13  ILE  13          HG13      ILE  13 -14.924  -3.523   3.579
    6   HG22  ILE  13          HG21      ILE  13 -15.161  -1.847   5.666
    7   HG21  ILE  13          HG22      ILE  13 -13.872  -0.661   5.460
    8   HG23  ILE  13          HG23      ILE  13 -13.762  -1.868   6.741
    9   HD11  ILE  13          HD11      ILE  13 -14.208  -0.621   3.418
   10   HD13  ILE  13          HD12      ILE  13 -15.793  -1.375   3.539
   11   HD12  ILE  13          HD13      ILE  13 -14.929  -1.386   2.004

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   58
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   58
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   58
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   58
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   58
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   58
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   58
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   58
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   58
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   58
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   58
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   58
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   58
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   58
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   58
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   58
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   58
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   58
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   58
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   58
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.956  -6.664  10.578
    4    HB3  HIS  52           HB3      HIS  52  -1.102  -7.765  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.215 -10.111  11.682
    6    HD2  HIS  52           HD2      HIS  52   1.300  -7.104   9.007
    7    HE1  HIS  52           HE1      HIS  52   2.439 -10.806  10.688
    8    HE2  HIS  52           HE2      HIS  52   3.115  -8.981   9.056

  No H/Q in entry =           8
  In of MODEL   58
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   58
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   58
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   58
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.097 -14.215  10.983
    4    HG1  THR  56           HG1      THR  56   0.615 -12.288   9.834
    5   HG22  THR  56          HG21      THR  56   1.852 -14.288  10.514
    6   HG21  THR  56          HG22      THR  56   0.933 -15.694   9.982
    7   HG23  THR  56          HG23      THR  56   0.869 -15.187  11.668

  No H/Q in entry =           7
  In of MODEL   58
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   58
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.914
    4   HG12  ILE  59          HG12      ILE  59   2.416 -16.225   3.466
    5   HG13  ILE  59          HG13      ILE  59   1.137 -15.379   2.609
    6   HG21  ILE  59          HG21      ILE  59   1.121 -16.015   6.799
    7   HG23  ILE  59          HG22      ILE  59   2.395 -15.068   6.078
    8   HG22  ILE  59          HG23      ILE  59   2.280 -16.786   5.733
    9   HD13  ILE  59          HD11      ILE  59   2.968 -13.852   2.693
   10   HD12  ILE  59          HD12      ILE  59   3.254 -14.189   4.400
   11   HD11  ILE  59          HD13      ILE  59   1.819 -13.292   3.908

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   58
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   58
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   58
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   58
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   58
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   58
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   58
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   58
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LEU  74           H        LEU  74  -4.261 -13.665  -2.365
    2    HA   LEU  74           HA       LEU  74  -3.859 -12.542   0.147
    3    HB2  LEU  74           HB2      LEU  74  -2.965 -14.698  -0.516
    4    HB3  LEU  74           HB3      LEU  74  -1.945 -13.939  -1.733
    5    HG   LEU  74           HG       LEU  74  -0.735 -12.739   0.069
    6   HD13  LEU  74          HD11      LEU  74  -2.263 -12.544   1.846
    7   HD12  LEU  74          HD12      LEU  74  -1.160 -13.793   2.420
    8   HD11  LEU  74          HD13      LEU  74  -2.733 -14.241   1.757
    9   HD21  LEU  74          HD21      LEU  74  -0.277 -15.211  -0.818
   10   HD23  LEU  74          HD22      LEU  74  -0.711 -15.646   0.825
   11   HD22  LEU  74          HD23      LEU  74   0.644 -14.561   0.536

  No H/Q in entry =          11
  In of MODEL   58
    1    H    VAL  75           H        VAL  75  -2.651 -11.578  -2.970
    2    HA   VAL  75           HA       VAL  75  -0.687  -9.741  -1.968
    3    HB   VAL  75           HB       VAL  75  -1.975  -9.644  -4.701
    4   HG13  VAL  75          HG11      VAL  75  -0.505  -7.843  -4.511
    5   HG12  VAL  75          HG12      VAL  75   0.547  -9.087  -5.186
    6   HG11  VAL  75          HG13      VAL  75   0.602  -8.726  -3.462
    7   HG21  VAL  75          HG21      VAL  75   0.253 -11.482  -3.745
    8   HG23  VAL  75          HG22      VAL  75  -0.245 -11.284  -5.424
    9   HG22  VAL  75          HG23      VAL  75  -1.360 -11.985  -4.252

  No H/Q in entry =           9
  In of MODEL   58
    1    H    HIS  76           H        HIS  76  -4.304  -9.347  -3.276
    2    HA   HIS  76           HA       HIS  76  -4.629  -6.571  -3.192
    3    HB2  HIS  76           HB2      HIS  76  -6.358  -8.136  -4.080
    4    HB3  HIS  76           HB3      HIS  76  -6.728  -8.632  -2.434
    5    HD1  HIS  76           HD1      HIS  76  -5.997  -5.006  -2.789
    6    HD2  HIS  76           HD2      HIS  76  -9.403  -7.431  -2.957
    7    HE1  HIS  76           HE1      HIS  76  -8.006  -3.450  -2.634

  No H/Q in entry =           7
  In of MODEL   58
    1    H    ALA  77           H        ALA  77  -4.698  -8.952  -0.628
    2    HA   ALA  77           HA       ALA  77  -5.528  -7.052   1.400
    3    HB1  ALA  77           HB1      ALA  77  -4.742  -9.948   1.388
    4    HB3  ALA  77           HB2      ALA  77  -6.246  -9.201   1.926
    5    HB2  ALA  77           HB3      ALA  77  -4.792  -9.063   2.914

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLN  78           H        GLN  78  -2.486  -8.766   0.545
    2    HA   GLN  78           HA       GLN  78  -0.953  -7.682   2.647
    3    HB2  GLN  78           HB2      GLN  78  -0.363  -9.638   1.123
    4    HB3  GLN  78           HB3      GLN  78   0.108  -8.439  -0.081
    5    HG2  GLN  78           HG2      GLN  78   1.696  -7.456   1.538
    6    HG3  GLN  78           HG3      GLN  78   1.251  -8.689   2.715
    7   HE21  GLN  78          HE21      GLN  78   3.941  -8.524   1.838
    8   HE22  GLN  78          HE22      GLN  78   4.291  -9.878   0.875

  No H/Q in entry =           8
  In of MODEL   58
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   58
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.202   1.174
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.805   2.202
    5    HD1  HIS  80           HD1      HIS  80  -6.759  -0.995   1.184
    6    HD2  HIS  80           HD2      HIS  80  -4.997  -3.408  -1.724
    7    HE1  HIS  80           HE1      HIS  80  -7.627  -0.171  -1.056
    8    HE2  HIS  80           HE2      HIS  80  -6.559  -1.636  -2.838

  No H/Q in entry =           8
  In of MODEL   58
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   58
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   58
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   58
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   58
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   58
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   58
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   58
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   58
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   58
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   58
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   58
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   58
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   58
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   58
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.422 -20.432  -4.408
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.475
    5    HG2  GLU   5           HG2      GLU   5  10.900 -19.845  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.485 -19.332  -2.390

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   58
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   58
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   58
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.034 -16.708   0.855
    4    HB3  MET   9           HB3      MET   9  13.733 -16.162   2.505
    5    HG2  MET   9           HG2      MET   9  11.341 -16.587   2.249
    6    HG3  MET   9           HG3      MET   9  11.579 -17.040   0.561
    7    HE1  MET   9           HE1      MET   9  12.459 -17.438   4.063
    8    HE3  MET   9           HE2      MET   9  13.980 -18.283   3.785
    9    HE2  MET   9           HE3      MET   9  12.585 -19.170   4.396

  No H/Q in entry =           9
  In of MODEL   58
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   58
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.310
    4   HG12  ILE  12          HG12      ILE  12  10.848 -11.553  -0.015
    5   HG13  ILE  12          HG13      ILE  12   9.642 -12.260   1.040
    6   HG21  ILE  12          HG21      ILE  12   9.721  -9.774   3.054
    7   HG23  ILE  12          HG22      ILE  12  10.857 -10.576   4.138
    8   HG22  ILE  12          HG23      ILE  12   9.522 -11.483   3.430
    9   HD11  ILE  12          HD11      ILE  12   8.800  -9.870   1.393
   10   HD13  ILE  12          HD12      ILE  12   8.538 -10.562  -0.197
   11   HD12  ILE  12          HD13      ILE  12   9.854  -9.425   0.059

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.105 -11.633   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.816 -12.625   4.649
    5   HG13  ILE  13          HG13      ILE  13  15.293 -13.528   4.962
    6   HG22  ILE  13          HG21      ILE  13  17.006 -11.969   6.273
    7   HG21  ILE  13          HG22      ILE  13  16.131 -10.480   6.626
    8   HG23  ILE  13          HG23      ILE  13  17.413 -10.484   5.414
    9   HD11  ILE  13          HD11      ILE  13  14.416 -11.558   7.032
   10   HD13  ILE  13          HD12      ILE  13  15.233 -13.107   7.231
   11   HD12  ILE  13          HD13      ILE  13  13.504 -13.060   6.891

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   58
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   58
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   58
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   58
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   58
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   58
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   58
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   58
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   58
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   58
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   58
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   58
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   58
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   58
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   58
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   58
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   58
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   58
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   58
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   58
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.331  -1.676  -5.677
    4    HB3  HIS  52           HB3      HIS  52  17.784  -1.773  -6.673
    5    HD1  HIS  52           HD1      HIS  52  17.341  -2.092  -9.321
    6    HD2  HIS  52           HD2      HIS  52  14.058  -0.866  -7.064
    7    HE1  HIS  52           HE1      HIS  52  15.640  -1.190 -10.965
    8    HE2  HIS  52           HE2      HIS  52  13.632  -0.436  -9.605

  No H/Q in entry =           8
  In of MODEL   58
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   58
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   58
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   58
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.060
    4    HG1  THR  56           HG1      THR  56  15.822  -3.655 -11.209
    5   HG22  THR  56          HG21      THR  56  16.208  -3.470 -13.602
    6   HG21  THR  56          HG22      THR  56  16.306  -5.100 -14.266
    7   HG23  THR  56          HG23      THR  56  17.779  -4.179 -13.972

  No H/Q in entry =           7
  In of MODEL   58
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   58
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.839  -7.161 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.897  -6.986 -14.834
    5   HG13  ILE  59          HG13      ILE  59   9.525  -7.875 -13.365
    6   HG21  ILE  59          HG21      ILE  59  13.404  -6.453 -14.314
    7   HG23  ILE  59          HG22      ILE  59  12.103  -5.313 -14.091
    8   HG22  ILE  59          HG23      ILE  59  12.077  -6.411 -15.461
    9   HD13  ILE  59          HD11      ILE  59   8.639  -5.688 -13.025
   10   HD12  ILE  59          HD12      ILE  59  10.108  -4.928 -13.635
   11   HD11  ILE  59          HD13      ILE  59  10.125  -5.754 -12.078

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   58
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   58
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   58
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   58
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   58
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   58
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   58
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   58
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LEU  74           H        LEU  74   6.977 -13.148  -8.612
    2    HA   LEU  74           HA       LEU  74   8.922 -11.214  -8.123
    3    HB2  LEU  74           HB2      LEU  74   8.284 -11.933 -10.352
    4    HB3  LEU  74           HB3      LEU  74   6.658 -11.298 -10.129
    5    HG   LEU  74           HG       LEU  74   7.612  -9.014  -9.919
    6   HD13  LEU  74          HD11      LEU  74   9.809  -9.305  -9.137
    7   HD12  LEU  74          HD12      LEU  74  10.057  -8.882 -10.830
    8   HD11  LEU  74          HD13      LEU  74  10.167 -10.565 -10.316
    9   HD21  LEU  74          HD21      LEU  74   6.980 -10.306 -12.162
   10   HD23  LEU  74          HD22      LEU  74   8.701 -10.166 -12.471
   11   HD22  LEU  74          HD23      LEU  74   7.735  -8.716 -12.229

  No H/Q in entry =          11
  In of MODEL   58
    1    H    VAL  75           H        VAL  75   5.437 -11.040  -7.857
    2    HA   VAL  75           HA       VAL  75   5.275  -8.245  -7.322
    3    HB   VAL  75           HB       VAL  75   3.332 -10.351  -6.352
    4   HG13  VAL  75          HG11      VAL  75   2.690  -8.251  -5.513
    5   HG12  VAL  75          HG12      VAL  75   1.752  -8.384  -7.000
    6   HG11  VAL  75          HG13      VAL  75   3.217  -7.404  -6.967
    7   HG21  VAL  75          HG21      VAL  75   3.554  -9.097  -9.115
    8   HG23  VAL  75          HG22      VAL  75   2.202 -10.084  -8.563
    9   HG22  VAL  75          HG23      VAL  75   3.806 -10.797  -8.720

  No H/Q in entry =           9
  In of MODEL   58
    1    H    HIS  76           H        HIS  76   5.515 -11.188  -5.149
    2    HA   HIS  76           HA       HIS  76   5.229  -9.921  -2.673
    3    HB2  HIS  76           HB2      HIS  76   5.533 -12.458  -3.283
    4    HB3  HIS  76           HB3      HIS  76   7.242 -12.115  -3.003
    5    HD1  HIS  76           HD1      HIS  76   6.415  -9.858  -0.766
    6    HD2  HIS  76           HD2      HIS  76   5.442 -13.912  -0.778
    7    HE1  HIS  76           HE1      HIS  76   5.933 -10.485   1.639

  No H/Q in entry =           7
  In of MODEL   58
    1    H    ALA  77           H        ALA  77   8.153 -10.457  -4.624
    2    HA   ALA  77           HA       ALA  77   9.915  -9.178  -2.780
    3    HB2  ALA  77           HB1      ALA  77  10.094 -10.063  -5.636
    4    HB1  ALA  77           HB2      ALA  77  11.052 -10.568  -4.245
    5    HB3  ALA  77           HB3      ALA  77  11.344  -8.998  -4.991

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLN  78           H        GLN  78   8.160  -8.071  -5.671
    2    HA   GLN  78           HA       GLN  78   9.312  -5.485  -5.760
    3    HB2  GLN  78           HB2      GLN  78   7.962  -6.675  -7.575
    4    HB3  GLN  78           HB3      GLN  78   6.522  -6.203  -6.673
    5    HG2  GLN  78           HG2      GLN  78   7.209  -3.837  -6.828
    6    HG3  GLN  78           HG3      GLN  78   8.628  -4.313  -7.758
    7   HE21  GLN  78          HE21      GLN  78   6.735  -2.562  -8.927
    8   HE22  GLN  78          HE22      GLN  78   5.914  -3.384 -10.165

  No H/Q in entry =           8
  In of MODEL   58
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   58
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.164  -7.453  -0.516
    4    HB3  HIS  80           HB3      HIS  80  10.040  -6.565   0.732
    5    HD1  HIS  80           HD1      HIS  80   9.435  -7.096   3.084
    6    HD2  HIS  80           HD2      HIS  80   6.418  -8.214   0.432
    7    HE1  HIS  80           HE1      HIS  80   7.655  -8.265   4.470
    8    HE2  HIS  80           HE2      HIS  80   5.810  -8.951   2.862

  No H/Q in entry =           8
  In of MODEL   58
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   58
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   58
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   58
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   58
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   58
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   58
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   58
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   58
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   58
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   58
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   58
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   58
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   58
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   58
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.105  -6.381 -21.732
    4    HB3  GLU   5           HB3      GLU   5   0.421  -5.149 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.483  -4.496 -21.791
    6    HG3  GLU   5           HG3      GLU   5   2.164  -5.682 -20.529

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   58
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   58
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   58
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.884   0.431 -20.999
    4    HB3  MET   9           HB3      MET   9   4.423   1.172 -20.554
    5    HG2  MET   9           HG2      MET   9   5.219  -0.952 -19.642
    6    HG3  MET   9           HG3      MET   9   3.660  -1.706 -19.976
    7    HE1  MET   9           HE1      MET   9   6.517   0.215 -21.126
    8    HE3  MET   9           HE2      MET   9   5.771   0.806 -22.609
    9    HE2  MET   9           HE3      MET   9   7.016  -0.438 -22.692

  No H/Q in entry =           9
  In of MODEL   58
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   58
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.475   1.686 -15.888
    4   HG12  ILE  12          HG12      ILE  12   2.663   0.282 -14.876
    5   HG13  ILE  12          HG13      ILE  12   4.207  -0.541 -14.960
    6   HG21  ILE  12          HG21      ILE  12   5.636   1.632 -13.093
    7   HG23  ILE  12          HG22      ILE  12   6.267   2.527 -14.476
    8   HG22  ILE  12          HG23      ILE  12   6.298   0.765 -14.477
    9   HD11  ILE  12          HD11      ILE  12   4.533   0.177 -12.532
   10   HD13  ILE  12          HD12      ILE  12   3.292  -1.029 -12.824
   11   HD12  ILE  12          HD13      ILE  12   2.842   0.650 -12.560

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.815 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.815   3.924 -17.796
    5   HG13  ILE  13          HG13      ILE  13   5.626   4.711 -19.360
    6   HG22  ILE  13          HG21      ILE  13   5.886   7.339 -19.055
    7   HG21  ILE  13          HG22      ILE  13   6.356   7.584 -17.373
    8   HG23  ILE  13          HG23      ILE  13   4.740   8.040 -17.912
    9   HD11  ILE  13          HD11      ILE  13   7.572   5.918 -17.440
   10   HD13  ILE  13          HD12      ILE  13   7.640   5.823 -19.199
   11   HD12  ILE  13          HD13      ILE  13   8.027   4.407 -18.224

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   58
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   58
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   58
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   58
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   58
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   58
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   58
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   58
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   58
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   58
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   58
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   58
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   58
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   58
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   58
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   58
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   58
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   58
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   58
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   58
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.051  -8.760
    4    HB3  HIS  52           HB3      HIS  52  -7.545   7.684  -9.496
    5    HD1  HIS  52           HD1      HIS  52  -9.709   6.070  -9.289
    6    HD2  HIS  52           HD2      HIS  52  -6.529   5.194  -6.741
    7    HE1  HIS  52           HE1      HIS  52 -10.636   4.563  -7.484
    8    HE2  HIS  52           HE2      HIS  52  -8.712   4.023  -5.914

  No H/Q in entry =           8
  In of MODEL   58
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   58
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   58
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   58
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.898   3.589 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.566   3.332  -9.626
    5   HG22  THR  56          HG21      THR  56 -12.953   2.777  -9.435
    6   HG21  THR  56          HG22      THR  56 -13.310   1.679 -10.768
    7   HG23  THR  56          HG23      THR  56 -13.810   3.366 -10.859

  No H/Q in entry =           7
  In of MODEL   58
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   58
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.670  -1.965 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.926  -4.280  -8.947
    5   HG13  ILE  59          HG13      ILE  59  -9.384  -4.463  -9.768
    6   HG23  ILE  59          HG21      ILE  59 -11.925  -1.115 -10.304
    7   HG22  ILE  59          HG22      ILE  59 -11.502  -1.695  -8.715
    8   HG21  ILE  59          HG23      ILE  59 -12.553  -2.654  -9.744
    9   HD13  ILE  59          HD11      ILE  59  -8.759  -3.832  -7.589
   10   HD12  ILE  59          HD12      ILE  59 -10.069  -2.660  -7.463
   11   HD11  ILE  59          HD13      ILE  59  -8.679  -2.320  -8.492

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   58
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   58
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   58
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   58
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   58
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   58
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   58
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   58
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   58
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LEU  74           H        LEU  74  -3.301  -7.021 -13.388
    2    HA   LEU  74           HA       LEU  74  -3.923  -4.379 -12.788
    3    HB2  LEU  74           HB2      LEU  74  -5.571  -6.168 -12.839
    4    HB3  LEU  74           HB3      LEU  74  -4.791  -6.973 -11.484
    5    HG   LEU  74           HG       LEU  74  -5.317  -5.012 -10.053
    6   HD13  LEU  74          HD11      LEU  74  -5.472  -3.178 -11.510
    7   HD12  LEU  74          HD12      LEU  74  -7.159  -3.491 -11.110
    8   HD11  LEU  74          HD13      LEU  74  -6.502  -4.043 -12.649
    9   HD21  LEU  74          HD21      LEU  74  -6.898  -7.087 -10.597
   10   HD23  LEU  74          HD22      LEU  74  -7.902  -5.852 -11.338
   11   HD22  LEU  74          HD23      LEU  74  -7.495  -5.740  -9.630

  No H/Q in entry =          11
  In of MODEL   58
    1    H    VAL  75           H        VAL  75  -2.289  -6.798 -10.868
    2    HA   VAL  75           HA       VAL  75  -2.130  -5.284  -8.460
    3    HB   VAL  75           HB       VAL  75  -0.168  -7.412  -9.321
    4   HG13  VAL  75          HG11      VAL  75   0.536  -6.482  -7.281
    5   HG12  VAL  75          HG12      VAL  75  -0.433  -7.861  -6.762
    6   HG11  VAL  75          HG13      VAL  75  -1.116  -6.236  -6.716
    7   HG21  VAL  75          HG21      VAL  75  -2.940  -7.761  -8.112
    8   HG23  VAL  75          HG22      VAL  75  -1.754  -9.052  -8.307
    9   HG22  VAL  75          HG23      VAL  75  -2.441  -8.264  -9.726

  No H/Q in entry =           9
  In of MODEL   58
    1    H    HIS  76           H        HIS  76   0.143  -5.684 -11.301
    2    HA   HIS  76           HA       HIS  76   2.313  -4.224 -10.307
    3    HB2  HIS  76           HB2      HIS  76   2.157  -5.549 -12.499
    4    HB3  HIS  76           HB3      HIS  76   1.437  -4.094 -13.188
    5    HD1  HIS  76           HD1      HIS  76   3.250  -2.957 -14.474
    6    HD2  HIS  76           HD2      HIS  76   4.625  -4.357 -10.797
    7    HE1  HIS  76           HE1      HIS  76   5.646  -2.169 -14.259

  No H/Q in entry =           7
  In of MODEL   58
    1    H    ALA  77           H        ALA  77  -0.558  -3.110 -12.084
    2    HA   ALA  77           HA       ALA  77   0.211  -0.361 -12.090
    3    HB1  ALA  77           HB1      ALA  77  -2.313  -1.877 -12.649
    4    HB3  ALA  77           HB2      ALA  77  -1.378  -0.829 -13.715
    5    HB2  ALA  77           HB3      ALA  77  -2.393  -0.125 -12.458

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLN  78           H        GLN  78  -1.829  -2.339  -9.958
    2    HA   GLN  78           HA       GLN  78  -2.754  -0.202  -8.344
    3    HB2  GLN  78           HB2      GLN  78  -3.669  -2.584  -8.484
    4    HB3  GLN  78           HB3      GLN  78  -2.339  -3.050  -7.423
    5    HG2  GLN  78           HG2      GLN  78  -3.100  -1.390  -5.759
    6    HG3  GLN  78           HG3      GLN  78  -4.451  -0.967  -6.809
    7   HE21  GLN  78          HE21      GLN  78  -4.972  -1.991  -4.217
    8   HE22  GLN  78          HE22      GLN  78  -5.632  -3.548  -4.363

  No H/Q in entry =           8
  In of MODEL   58
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   58
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.315   0.891 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.967   2.520 -10.292
    5    HD1  HIS  80           HD1      HIS  80   5.411   2.771 -10.666
    6    HD2  HIS  80           HD2      HIS  80   4.390  -1.176  -9.799
    7    HE1  HIS  80           HE1      HIS  80   7.546   1.411 -10.881
    8    HE2  HIS  80           HE2      HIS  80   6.934  -0.999 -10.356

  No H/Q in entry =           8
  In of MODEL   58
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   58
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   58
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   58
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   58
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   58
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   58
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   58
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   58
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   58
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   58
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   58
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   58
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   58
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   58
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   58
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   58
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   58
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   58
    1    H    PHE   9           H        PHE   9 -21.280   0.634  -3.908
    2    HA   PHE   9           HA       PHE   9 -18.521   1.525  -4.542
    3    HB2  PHE   9           HB2      PHE   9 -20.335   2.440  -2.303
    4    HB3  PHE   9           HB3      PHE   9 -18.628   2.856  -2.439
    5    HD1  PHE   9           HD1      PHE   9 -21.988   3.464  -3.708
    6    HD2  PHE   9           HD2      PHE   9 -17.812   4.216  -4.363
    7    HE1  PHE   9           HE1      PHE   9 -22.565   5.312  -5.256
    8    HE2  PHE   9           HE2      PHE   9 -18.389   6.064  -5.915
    9    HZ   PHE   9           HZ       PHE   9 -20.766   6.612  -6.360

  No H/Q in entry =           9
  In of MODEL   58
    1    H    CYS  10           H        CYS  10 -16.911   0.901  -3.235
    2    HA   CYS  10           HA       CYS  10 -17.184  -0.767  -0.901
    3    HB2  CYS  10           HB2      CYS  10 -16.122  -2.728  -1.685
    4    HB3  CYS  10           HB3      CYS  10 -17.269  -2.330  -2.968

  No H/Q in entry =           4
  In of MODEL   58
    1    H    SER  11           H        SER  11 -14.466  -1.465  -0.373
    2    HA   SER  11           HA       SER  11 -13.464   1.130   0.016
    3    HB2  SER  11           HB2      SER  11 -12.558  -0.473   1.466
    4    HB3  SER  11           HB3      SER  11 -12.164  -1.575   0.163
    5    HG   SER  11           HG       SER  11 -10.957   0.766  -0.267

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA  12           H        ALA  12 -12.206  -1.355  -2.343
    2    HA   ALA  12           HA       ALA  12 -10.821   0.885  -3.657
    3    HB3  ALA  12           HB1      ALA  12  -9.089  -0.537  -3.644
    4    HB2  ALA  12           HB2      ALA  12  -9.973  -1.550  -4.784
    5    HB1  ALA  12           HB3      ALA  12 -10.107  -1.849  -3.051

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLY  13           H        GLY  13 -12.945  -1.876  -4.285
    2    HA3  GLY  13           HA2      GLY  13 -14.779  -1.484  -5.873
    3    HA2  GLY  13           HA3      GLY  13 -13.603  -0.676  -6.902

  No H/Q in entry =           3
  In of MODEL   58
    1    H    MET  14           H        MET  14 -12.747  -3.665  -5.223
    2    HA   MET  14           HA       MET  14 -12.633  -4.954  -7.876
    3    HB2  MET  14           HB2      MET  14 -10.495  -4.683  -6.599
    4    HB3  MET  14           HB3      MET  14 -11.148  -5.775  -5.377
    5    HG2  MET  14           HG2      MET  14 -11.409  -7.539  -7.062
    6    HG3  MET  14           HG3      MET  14 -10.823  -6.451  -8.318
    7    HE3  MET  14           HE1      MET  14  -7.951  -9.044  -7.874
    8    HE2  MET  14           HE2      MET  14  -8.912  -8.154  -9.050
    9    HE1  MET  14           HE3      MET  14  -9.709  -9.224  -7.901

  No H/Q in entry =           9
  In of MODEL   58
    1    H    SER  15           H        SER  15 -12.853  -6.273  -4.571
    2    HA   SER  15           HA       SER  15 -14.070  -8.635  -5.196
    3    HB2  SER  15           HB2      SER  15 -13.418  -7.673  -2.877
    4    HB3  SER  15           HB3      SER  15 -15.088  -7.106  -2.829
    5    HG   SER  15           HG       SER  15 -14.279  -9.770  -3.392

  No H/Q in entry =           5
  In of MODEL   58
    1    H    THR  16           H        THR  16 -15.517  -5.475  -5.467
    2    HA   THR  16           HA       THR  16 -18.200  -6.694  -5.635
    3    HB   THR  16           HB       THR  16 -17.454  -3.775  -5.941
    4    HG1  THR  16           HG1      THR  16 -18.339  -3.793  -3.707
    5   HG22  THR  16          HG21      THR  16 -19.916  -3.640  -5.106
    6   HG21  THR  16          HG22      THR  16 -20.014  -5.324  -5.622
    7   HG23  THR  16          HG23      THR  16 -19.620  -4.065  -6.793

  No H/Q in entry =           7
  In of MODEL   58
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   58
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   58
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   58
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   58
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   58
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   58
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   58
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   58
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   58
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   58
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   58
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   58
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   58
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   58
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   58
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   58
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   58
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   58
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   58
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   58
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   58
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   58
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   58
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   58
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   58
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   58
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   58
    1    HA   PRO  58           HA       PRO  58 -23.310  -4.452   3.149
    2    HB2  PRO  58           HB2      PRO  58 -21.602  -6.873   3.253
    3    HB3  PRO  58           HB3      PRO  58 -23.363  -6.722   3.386
    4    HG2  PRO  58           HG2      PRO  58 -22.177  -7.716   1.201
    5    HG3  PRO  58           HG3      PRO  58 -23.675  -6.775   1.122
    6    HD2  PRO  58           HD2      PRO  58 -20.884  -5.928   0.414
    7    HD3  PRO  58           HD3      PRO  58 -22.439  -5.473  -0.320

  No H/Q in entry =           7
  In of MODEL   58
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   58
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   58
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   58
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   58
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   58
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   58
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   58
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   58
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   58
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   58
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   58
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   58
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   58
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   58
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   58
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   58
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   58
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   58
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   58
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   58
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   58
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   58
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   58
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   58
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   58
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   58
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   58
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   58
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   58
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   58
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   58
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   58
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   58
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   58
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   58
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   58
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   58
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   59
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   59
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.290 -14.287  -2.726
    4    HB3  GLU   5           HB3      GLU   5 -14.697 -13.922  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.556 -11.552  -2.359
    6    HG3  GLU   5           HG3      GLU   5 -13.126 -11.887  -3.335

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   59
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   59
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   59
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.711  -8.425   1.552
    4    HB3  MET   9           HB3      MET   9 -15.028  -6.704   1.334
    5    HG2  MET   9           HG2      MET   9 -14.288  -6.807  -0.976
    6    HG3  MET   9           HG3      MET   9 -13.792  -8.488  -0.781
    7    HE1  MET   9           HE1      MET   9 -16.336  -5.901  -0.616
    8    HE3  MET   9           HE2      MET   9 -17.359  -6.752   0.535
    9    HE2  MET   9           HE3      MET   9 -17.869  -6.603  -1.139

  No H/Q in entry =           9
  In of MODEL   59
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   59
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.959  -4.307   1.270
    4   HG12  ILE  12          HG12      ILE  12  -9.606  -6.246   0.894
    5   HG13  ILE  12          HG13      ILE  12  -9.581  -5.330  -0.600
    6   HG21  ILE  12          HG21      ILE  12  -8.629  -2.668   0.268
    7   HG23  ILE  12          HG22      ILE  12 -10.198  -2.050   0.789
    8   HG22  ILE  12          HG23      ILE  12 -10.072  -3.061  -0.656
    9   HD13  ILE  12          HD11      ILE  12  -7.328  -5.966  -0.252
   10   HD12  ILE  12          HD12      ILE  12  -7.421  -5.644   1.471
   11   HD11  ILE  12          HD13      ILE  12  -7.407  -4.309   0.327

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.604   5.239
    4   HG12  ILE  13          HG12      ILE  13 -13.488  -3.071   2.666
    5   HG13  ILE  13          HG13      ILE  13 -14.916  -3.535   3.577
    6   HG21  ILE  13          HG21      ILE  13 -13.901  -0.660   5.434
    7   HG23  ILE  13          HG22      ILE  13 -13.739  -1.841   6.734
    8   HG22  ILE  13          HG23      ILE  13 -15.160  -1.869   5.689
    9   HD12  ILE  13          HD11      ILE  13 -14.982  -1.405   2.014
   10   HD11  ILE  13          HD12      ILE  13 -14.202  -0.630   3.387
   11   HD13  ILE  13          HD13      ILE  13 -15.787  -1.375   3.582

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   59
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   59
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   59
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   59
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   59
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   59
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   59
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   59
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   59
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   59
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   59
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   59
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   59
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   59
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   59
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   59
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   59
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   59
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   59
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   59
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.942  -6.670  10.561
    4    HB3  HIS  52           HB3      HIS  52  -1.113  -7.745  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.207 -10.083  11.773
    6    HD2  HIS  52           HD2      HIS  52   1.301  -7.185   8.984
    7    HE1  HIS  52           HE1      HIS  52   2.427 -10.824  10.805
    8    HE2  HIS  52           HE2      HIS  52   3.109  -9.066   9.103

  No H/Q in entry =           8
  In of MODEL   59
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   59
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   59
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   59
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.090 -14.233  10.983
    4    HG1  THR  56           HG1      THR  56  -0.501 -12.040  10.003
    5   HG23  THR  56          HG21      THR  56   0.874 -15.238  11.633
    6   HG22  THR  56          HG22      THR  56   1.850 -14.224  10.572
    7   HG21  THR  56          HG23      THR  56   1.002 -15.623   9.918

  No H/Q in entry =           7
  In of MODEL   59
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   59
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.632   4.902
    4   HG12  ILE  59          HG12      ILE  59   2.379 -16.272   3.445
    5   HG13  ILE  59          HG13      ILE  59   1.152 -15.328   2.616
    6   HG21  ILE  59          HG21      ILE  59   1.105 -15.979   6.809
    7   HG23  ILE  59          HG22      ILE  59   2.399 -15.070   6.075
    8   HG22  ILE  59          HG23      ILE  59   2.254 -16.792   5.763
    9   HD12  ILE  59          HD11      ILE  59   3.374 -14.342   4.394
   10   HD11  ILE  59          HD12      ILE  59   1.958 -13.346   4.055
   11   HD13  ILE  59          HD13      ILE  59   3.006 -13.867   2.736

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   59
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   59
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   59
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   59
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   59
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   59
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   59
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   59
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LEU  74           H        LEU  74  -4.304 -13.688  -2.342
    2    HA   LEU  74           HA       LEU  74  -3.896 -12.589   0.168
    3    HB2  LEU  74           HB2      LEU  74  -3.008 -14.740  -0.496
    4    HB3  LEU  74           HB3      LEU  74  -1.990 -13.988  -1.718
    5    HG   LEU  74           HG       LEU  74  -0.737 -12.817   0.057
    6   HD11  LEU  74          HD11      LEU  74  -2.769 -14.219   1.784
    7   HD13  LEU  74          HD12      LEU  74  -2.263 -12.531   1.828
    8   HD12  LEU  74          HD13      LEU  74  -1.188 -13.791   2.437
    9   HD21  LEU  74          HD21      LEU  74  -0.404 -15.356  -0.759
   10   HD23  LEU  74          HD22      LEU  74  -0.770 -15.683   0.925
   11   HD22  LEU  74          HD23      LEU  74   0.598 -14.658   0.510

  No H/Q in entry =          11
  In of MODEL   59
    1    H    VAL  75           H        VAL  75  -2.621 -11.626  -2.918
    2    HA   VAL  75           HA       VAL  75  -0.672  -9.796  -1.883
    3    HB   VAL  75           HB       VAL  75  -1.954  -9.905  -4.631
    4   HG13  VAL  75          HG11      VAL  75  -0.888  -7.856  -4.639
    5   HG12  VAL  75          HG12      VAL  75   0.466  -8.891  -5.092
    6   HG11  VAL  75          HG13      VAL  75   0.293  -8.345  -3.425
    7   HG23  VAL  75          HG21      VAL  75   0.230 -11.107  -5.200
    8   HG22  VAL  75          HG22      VAL  75  -0.901 -12.032  -4.213
    9   HG21  VAL  75          HG23      VAL  75   0.495 -11.261  -3.462

  No H/Q in entry =           9
  In of MODEL   59
    1    H    HIS  76           H        HIS  76  -4.276  -9.389  -3.219
    2    HA   HIS  76           HA       HIS  76  -4.596  -6.613  -3.138
    3    HB2  HIS  76           HB2      HIS  76  -6.330  -8.137  -4.045
    4    HB3  HIS  76           HB3      HIS  76  -6.688  -8.694  -2.416
    5    HD1  HIS  76           HD1      HIS  76  -6.001  -5.107  -2.340
    6    HD2  HIS  76           HD2      HIS  76  -9.365  -7.444  -3.192
    7    HE1  HIS  76           HE1      HIS  76  -8.016  -3.557  -2.203

  No H/Q in entry =           7
  In of MODEL   59
    1    H    ALA  77           H        ALA  77  -4.660  -8.987  -0.577
    2    HA   ALA  77           HA       ALA  77  -5.504  -7.092   1.452
    3    HB2  ALA  77           HB1      ALA  77  -4.775  -9.087   2.970
    4    HB1  ALA  77           HB2      ALA  77  -4.684  -9.982   1.453
    5    HB3  ALA  77           HB3      ALA  77  -6.212  -9.262   1.960

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLN  78           H        GLN  78  -2.464  -8.759   0.549
    2    HA   GLN  78           HA       GLN  78  -0.911  -7.681   2.650
    3    HB2  GLN  78           HB2      GLN  78  -0.342  -9.634   1.099
    4    HB3  GLN  78           HB3      GLN  78   0.135  -8.419  -0.086
    5    HG2  GLN  78           HG2      GLN  78   1.722  -7.466   1.555
    6    HG3  GLN  78           HG3      GLN  78   1.273  -8.721   2.707
    7   HE21  GLN  78          HE21      GLN  78   3.966  -8.529   1.819
    8   HE22  GLN  78          HE22      GLN  78   4.315  -9.869   0.838

  No H/Q in entry =           8
  In of MODEL   59
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   59
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.202   1.174
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.805   2.202
    5    HD1  HIS  80           HD1      HIS  80  -6.550  -0.835   1.154
    6    HD2  HIS  80           HD2      HIS  80  -5.204  -3.566  -1.694
    7    HE1  HIS  80           HE1      HIS  80  -7.470  -0.054  -1.080
    8    HE2  HIS  80           HE2      HIS  80  -6.656  -1.714  -2.826

  No H/Q in entry =           8
  In of MODEL   59
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   59
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   59
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   59
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   59
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   59
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   59
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   59
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   59
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   59
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   59
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   59
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   59
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   59
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   59
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.410 -20.425  -4.401
    4    HB3  GLU   5           HB3      GLU   5  11.852 -20.887  -3.492
    5    HG2  GLU   5           HG2      GLU   5  10.933 -19.872  -1.464
    6    HG3  GLU   5           HG3      GLU   5   9.514 -19.326  -2.356

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   59
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   59
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   59
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.036 -16.707   0.857
    4    HB3  MET   9           HB3      MET   9  13.730 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.348 -16.603   2.259
    6    HG3  MET   9           HG3      MET   9  11.571 -17.023   0.560
    7    HE1  MET   9           HE1      MET   9  12.362 -17.540   4.079
    8    HE3  MET   9           HE2      MET   9  13.944 -18.250   3.770
    9    HE2  MET   9           HE3      MET   9  12.623 -19.269   4.334

  No H/Q in entry =           9
  In of MODEL   59
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   59
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.944   2.338
    4   HG12  ILE  12          HG12      ILE  12  10.786 -12.089   0.200
    5   HG13  ILE  12          HG13      ILE  12   9.333 -11.863   1.153
    6   HG21  ILE  12          HG21      ILE  12   9.694  -9.764   3.001
    7   HG23  ILE  12          HG22      ILE  12  10.811 -10.541   4.123
    8   HG22  ILE  12          HG23      ILE  12   9.495 -11.467   3.404
    9   HD13  ILE  12          HD11      ILE  12   9.188 -10.399  -0.744
   10   HD12  ILE  12          HD12      ILE  12  10.823  -9.816  -0.492
   11   HD11  ILE  12          HD13      ILE  12   9.554  -9.395   0.650

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.107 -11.632   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.810 -12.618   4.655
    5   HG13  ILE  13          HG13      ILE  13  15.287 -13.529   4.945
    6   HG21  ILE  13          HG21      ILE  13  16.116 -10.525   6.651
    7   HG23  ILE  13          HG22      ILE  13  17.386 -10.443   5.431
    8   HG22  ILE  13          HG23      ILE  13  17.038 -11.971   6.241
    9   HD12  ILE  13          HD11      ILE  13  13.543 -13.112   6.907
   10   HD11  ILE  13          HD12      ILE  13  14.393 -11.573   7.029
   11   HD13  ILE  13          HD13      ILE  13  15.277 -13.085   7.222

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   59
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   59
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   59
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   59
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   59
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   59
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   59
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   59
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   59
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   59
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   59
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   59
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   59
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   59
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   59
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   59
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   59
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   59
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   59
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   59
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.310  -1.676  -5.688
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.650
    5    HD1  HIS  52           HD1      HIS  52  17.422  -2.050  -9.303
    6    HD2  HIS  52           HD2      HIS  52  14.050  -0.913  -7.131
    7    HE1  HIS  52           HE1      HIS  52  15.753  -1.162 -10.986
    8    HE2  HIS  52           HE2      HIS  52  13.691  -0.463  -9.679

  No H/Q in entry =           8
  In of MODEL   59
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   59
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   59
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   59
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.459 -12.078
    4    HG1  THR  56           HG1      THR  56  16.384  -4.309 -10.425
    5   HG23  THR  56          HG21      THR  56  17.755  -4.213 -14.012
    6   HG22  THR  56          HG22      THR  56  16.249  -3.419 -13.555
    7   HG21  THR  56          HG23      THR  56  16.216  -5.043 -14.238

  No H/Q in entry =           7
  In of MODEL   59
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   59
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.829  -7.165 -12.524
    4   HG12  ILE  59          HG12      ILE  59   9.900  -7.046 -14.852
    5   HG13  ILE  59          HG13      ILE  59   9.518  -7.836 -13.330
    6   HG21  ILE  59          HG21      ILE  59  13.414  -6.443 -14.276
    7   HG23  ILE  59          HG22      ILE  59  12.098  -5.313 -14.094
    8   HG22  ILE  59          HG23      ILE  59  12.115  -6.421 -15.456
    9   HD12  ILE  59          HD11      ILE  59  10.071  -4.919 -13.825
   10   HD11  ILE  59          HD12      ILE  59  10.207  -5.616 -12.211
   11   HD13  ILE  59          HD13      ILE  59   8.662  -5.651 -13.060

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   59
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   59
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   59
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   59
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   59
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   59
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   59
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   59
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LEU  74           H        LEU  74   7.010 -13.177  -8.611
    2    HA   LEU  74           HA       LEU  74   8.958 -11.254  -8.138
    3    HB2  LEU  74           HB2      LEU  74   8.334 -11.976 -10.362
    4    HB3  LEU  74           HB3      LEU  74   6.701 -11.354 -10.150
    5    HG   LEU  74           HG       LEU  74   7.612  -9.061  -9.981
    6   HD11  LEU  74          HD11      LEU  74  10.206 -10.565 -10.283
    7   HD13  LEU  74          HD12      LEU  74   9.791  -9.310  -9.117
    8   HD12  LEU  74          HD13      LEU  74  10.082  -8.886 -10.804
    9   HD21  LEU  74          HD21      LEU  74   7.109 -10.449 -12.224
   10   HD23  LEU  74          HD22      LEU  74   8.826 -10.188 -12.477
   11   HD22  LEU  74          HD23      LEU  74   7.751  -8.809 -12.283

  No H/Q in entry =          11
  In of MODEL   59
    1    H    VAL  75           H        VAL  75   5.483 -11.042  -7.884
    2    HA   VAL  75           HA       VAL  75   5.351  -8.237  -7.383
    3    HB   VAL  75           HB       VAL  75   3.417 -10.446  -6.616
    4   HG13  VAL  75          HG11      VAL  75   2.718  -8.644  -5.319
    5   HG12  VAL  75          HG12      VAL  75   1.831  -8.343  -6.812
    6   HG11  VAL  75          HG13      VAL  75   3.312  -7.450  -6.472
    7   HG23  VAL  75          HG21      VAL  75   2.188  -9.526  -8.671
    8   HG22  VAL  75          HG22      VAL  75   3.659 -10.437  -9.007
    9   HG21  VAL  75          HG23      VAL  75   3.683  -8.677  -9.063

  No H/Q in entry =           9
  In of MODEL   59
    1    H    HIS  76           H        HIS  76   5.522 -11.163  -5.179
    2    HA   HIS  76           HA       HIS  76   5.227  -9.866  -2.719
    3    HB2  HIS  76           HB2      HIS  76   5.427 -12.395  -3.218
    4    HB3  HIS  76           HB3      HIS  76   7.168 -12.135  -3.100
    5    HD1  HIS  76           HD1      HIS  76   7.473 -10.246  -0.811
    6    HD2  HIS  76           HD2      HIS  76   4.676 -13.336  -0.724
    7    HE1  HIS  76           HE1      HIS  76   6.965 -10.684   1.631

  No H/Q in entry =           7
  In of MODEL   59
    1    H    ALA  77           H        ALA  77   8.152 -10.438  -4.656
    2    HA   ALA  77           HA       ALA  77   9.924  -9.175  -2.807
    3    HB3  ALA  77           HB1      ALA  77  11.360  -8.998  -4.999
    4    HB2  ALA  77           HB2      ALA  77  10.100 -10.029  -5.676
    5    HB1  ALA  77           HB3      ALA  77  11.039 -10.582  -4.290

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLN  78           H        GLN  78   8.150  -8.063  -5.674
    2    HA   GLN  78           HA       GLN  78   9.301  -5.474  -5.776
    3    HB2  GLN  78           HB2      GLN  78   7.938  -6.677  -7.579
    4    HB3  GLN  78           HB3      GLN  78   6.507  -6.190  -6.671
    5    HG2  GLN  78           HG2      GLN  78   7.212  -3.829  -6.844
    6    HG3  GLN  78           HG3      GLN  78   8.618  -4.323  -7.785
    7   HE21  GLN  78          HE21      GLN  78   6.711  -2.563  -8.934
    8   HE22  GLN  78          HE22      GLN  78   5.877  -3.385 -10.163

  No H/Q in entry =           8
  In of MODEL   59
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   59
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.166  -7.453  -0.516
    4    HB3  HIS  80           HB3      HIS  80  10.040  -6.565   0.734
    5    HD1  HIS  80           HD1      HIS  80   9.305  -6.886   3.115
    6    HD2  HIS  80           HD2      HIS  80   6.543  -8.426   0.397
    7    HE1  HIS  80           HE1      HIS  80   7.553  -8.113   4.486
    8    HE2  HIS  80           HE2      HIS  80   5.863  -9.056   2.838

  No H/Q in entry =           8
  In of MODEL   59
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   59
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   59
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   59
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   59
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   59
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   59
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   59
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   59
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   59
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   59
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   59
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   59
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   59
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   59
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.099  -6.380 -21.738
    4    HB3  GLU   5           HB3      GLU   5   0.427  -5.145 -22.953
    5    HG2  GLU   5           HG2      GLU   5   2.485  -4.503 -21.773
    6    HG3  GLU   5           HG3      GLU   5   2.156  -5.700 -20.523

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   59
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   59
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   59
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.434 -21.000
    4    HB3  MET   9           HB3      MET   9   4.425   1.169 -20.552
    5    HG2  MET   9           HG2      MET   9   5.228  -0.951 -19.661
    6    HG3  MET   9           HG3      MET   9   3.660  -1.703 -19.956
    7    HE1  MET   9           HE1      MET   9   6.588   0.092 -21.168
    8    HE3  MET   9           HE2      MET   9   5.761   0.791 -22.559
    9    HE2  MET   9           HE3      MET   9   6.952  -0.486 -22.800

  No H/Q in entry =           9
  In of MODEL   59
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   59
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.498   1.700 -15.884
    4   HG12  ILE  12          HG12      ILE  12   2.945   0.061 -15.309
    5   HG13  ILE  12          HG13      ILE  12   4.378  -0.526 -14.491
    6   HG21  ILE  12          HG21      ILE  12   5.600   1.596 -13.066
    7   HG23  ILE  12          HG22      ILE  12   6.267   2.505 -14.423
    8   HG22  ILE  12          HG23      ILE  12   6.283   0.743 -14.449
    9   HD13  ILE  12          HD11      ILE  12   2.568  -0.702 -12.939
   10   HD12  ILE  12          HD12      ILE  12   2.005   0.918 -13.311
   11   HD11  ILE  12          HD13      ILE  12   3.515   0.690 -12.439

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.818 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.823   3.926 -17.786
    5   HG13  ILE  13          HG13      ILE  13   5.610   4.696 -19.355
    6   HG21  ILE  13          HG21      ILE  13   6.386   7.565 -17.400
    7   HG23  ILE  13          HG22      ILE  13   4.757   8.045 -17.876
    8   HG22  ILE  13          HG23      ILE  13   5.854   7.347 -19.067
    9   HD12  ILE  13          HD11      ILE  13   8.032   4.417 -18.310
   10   HD11  ILE  13          HD12      ILE  13   7.584   5.880 -17.436
   11   HD13  ILE  13          HD13      ILE  13   7.604   5.877 -19.199

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   59
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   59
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   59
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   59
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   59
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   59
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   59
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   59
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   59
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   59
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   59
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   59
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   59
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   59
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   59
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   59
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   59
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   59
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   59
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   59
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.032  -8.748
    4    HB3  HIS  52           HB3      HIS  52  -7.526   7.695  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.734   6.172  -9.285
    6    HD2  HIS  52           HD2      HIS  52  -6.572   5.123  -6.779
    7    HE1  HIS  52           HE1      HIS  52 -10.704   4.660  -7.506
    8    HE2  HIS  52           HE2      HIS  52  -8.791   4.016  -5.963

  No H/Q in entry =           8
  In of MODEL   59
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   59
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   59
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   59
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.918   3.577 -12.101
    4    HG1  THR  56           HG1      THR  56 -10.011   3.777 -10.546
    5   HG23  THR  56          HG21      THR  56 -13.826   3.322 -10.850
    6   HG22  THR  56          HG22      THR  56 -12.923   2.842  -9.414
    7   HG21  THR  56          HG23      THR  56 -13.261   1.661 -10.676

  No H/Q in entry =           7
  In of MODEL   59
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   59
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.652  -1.984 -10.401
    4   HG12  ILE  59          HG12      ILE  59 -10.966  -4.329  -9.021
    5   HG13  ILE  59          HG13      ILE  59  -9.356  -4.429  -9.716
    6   HG23  ILE  59          HG21      ILE  59 -11.857  -1.054 -10.296
    7   HG22  ILE  59          HG22      ILE  59 -11.515  -1.708  -8.715
    8   HG21  ILE  59          HG23      ILE  59 -12.568  -2.584  -9.815
    9   HD12  ILE  59          HD11      ILE  59 -10.302  -2.788  -7.395
   10   HD11  ILE  59          HD12      ILE  59  -8.922  -2.236  -8.341
   11   HD13  ILE  59          HD13      ILE  59  -8.863  -3.799  -7.529

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   59
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   59
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   59
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   59
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   59
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   59
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   59
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   59
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   59
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LEU  74           H        LEU  74  -3.310  -7.009 -13.433
    2    HA   LEU  74           HA       LEU  74  -3.946  -4.376 -12.841
    3    HB2  LEU  74           HB2      LEU  74  -5.596  -6.152 -12.907
    4    HB3  LEU  74           HB3      LEU  74  -4.824  -6.976 -11.559
    5    HG   LEU  74           HG       LEU  74  -5.368  -5.061 -10.092
    6   HD11  LEU  74          HD11      LEU  74  -6.491  -3.997 -12.677
    7   HD13  LEU  74          HD12      LEU  74  -5.451  -3.183 -11.510
    8   HD12  LEU  74          HD13      LEU  74  -7.150  -3.464 -11.132
    9   HD21  LEU  74          HD21      LEU  74  -6.989  -7.087 -10.787
   10   HD23  LEU  74          HD22      LEU  74  -7.959  -5.770 -11.424
   11   HD22  LEU  74          HD23      LEU  74  -7.537  -5.800  -9.716

  No H/Q in entry =          11
  In of MODEL   59
    1    H    VAL  75           H        VAL  75  -2.333  -6.775 -10.888
    2    HA   VAL  75           HA       VAL  75  -2.229  -5.248  -8.484
    3    HB   VAL  75           HB       VAL  75  -0.428  -7.500  -9.414
    4   HG13  VAL  75          HG11      VAL  75   0.749  -6.555  -7.640
    5   HG12  VAL  75          HG12      VAL  75  -0.289  -7.694  -6.783
    6   HG11  VAL  75          HG13      VAL  75  -0.716  -5.984  -6.840
    7   HG23  VAL  75          HG21      VAL  75  -1.930  -8.817  -7.805
    8   HG22  VAL  75          HG22      VAL  75  -2.690  -8.317  -9.317
    9   HG21  VAL  75          HG23      VAL  75  -3.011  -7.424  -7.831

  No H/Q in entry =           9
  In of MODEL   59
    1    H    HIS  76           H        HIS  76   0.112  -5.672 -11.266
    2    HA   HIS  76           HA       HIS  76   2.258  -4.202 -10.237
    3    HB2  HIS  76           HB2      HIS  76   2.115  -5.541 -12.438
    4    HB3  HIS  76           HB3      HIS  76   1.464  -4.058 -13.137
    5    HD1  HIS  76           HD1      HIS  76   3.355  -2.983 -14.363
    6    HD2  HIS  76           HD2      HIS  76   4.562  -4.432 -10.646
    7    HE1  HIS  76           HE1      HIS  76   5.767  -2.272 -14.067

  No H/Q in entry =           7
  In of MODEL   59
    1    H    ALA  77           H        ALA  77  -0.580  -3.104 -12.072
    2    HA   ALA  77           HA       ALA  77   0.173  -0.353 -12.088
    3    HB2  ALA  77           HB1      ALA  77  -2.416  -0.115 -12.465
    4    HB3  ALA  77           HB2      ALA  77  -2.362  -1.871 -12.616
    5    HB1  ALA  77           HB3      ALA  77  -1.419  -0.864 -13.714

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLN  78           H        GLN  78  -1.831  -2.339  -9.943
    2    HA   GLN  78           HA       GLN  78  -2.767  -0.206  -8.321
    3    HB2  GLN  78           HB2      GLN  78  -3.664  -2.601  -8.469
    4    HB3  GLN  78           HB3      GLN  78  -2.336  -3.050  -7.400
    5    HG2  GLN  78           HG2      GLN  78  -3.120  -1.385  -5.749
    6    HG3  GLN  78           HG3      GLN  78  -4.472  -0.987  -6.805
    7   HE21  GLN  78          HE21      GLN  78  -4.967  -2.009  -4.198
    8   HE22  GLN  78          HE22      GLN  78  -5.616  -3.571  -4.340

  No H/Q in entry =           8
  In of MODEL   59
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   59
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.317   0.889 -10.474
    4    HB3  HIS  80           HB3      HIS  80   2.964   2.519 -10.293
    5    HD1  HIS  80           HD1      HIS  80   5.459   2.803 -10.406
    6    HD2  HIS  80           HD2      HIS  80   4.346  -1.199 -10.056
    7    HE1  HIS  80           HE1      HIS  80   7.583   1.438 -10.687
    8    HE2  HIS  80           HE2      HIS  80   6.916  -1.005 -10.476

  No H/Q in entry =           8
  In of MODEL   59
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   59
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   59
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   59
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   59
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   59
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   59
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   59
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   59
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   59
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   59
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   59
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   59
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   59
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   59
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   59
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   59
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   59
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   59
    1    H    PHE   9           H        PHE   9 -21.273   0.632  -3.904
    2    HA   PHE   9           HA       PHE   9 -18.514   1.516  -4.550
    3    HB2  PHE   9           HB2      PHE   9 -20.317   2.433  -2.302
    4    HB3  PHE   9           HB3      PHE   9 -18.608   2.843  -2.444
    5    HD1  PHE   9           HD1      PHE   9 -21.970   3.509  -3.645
    6    HD2  PHE   9           HD2      PHE   9 -17.798   4.159  -4.424
    7    HE1  PHE   9           HE1      PHE   9 -22.548   5.361  -5.187
    8    HE2  PHE   9           HE2      PHE   9 -18.376   6.012  -5.969
    9    HZ   PHE   9           HZ       PHE   9 -20.752   6.613  -6.350

  No H/Q in entry =           9
  In of MODEL   59
    1    H    CYS  10           H        CYS  10 -16.904   0.899  -3.242
    2    HA   CYS  10           HA       CYS  10 -17.170  -0.800  -0.923
    3    HB2  CYS  10           HB2      CYS  10 -16.088  -2.732  -1.727
    4    HB3  CYS  10           HB3      CYS  10 -17.191  -2.315  -3.042

  No H/Q in entry =           4
  In of MODEL   59
    1    H    SER  11           H        SER  11 -14.405  -1.474  -0.431
    2    HA   SER  11           HA       SER  11 -13.476   1.167  -0.010
    3    HB2  SER  11           HB2      SER  11 -11.196  -0.159   0.303
    4    HB3  SER  11           HB3      SER  11 -12.474  -0.265   1.495
    5    HG   SER  11           HG       SER  11 -12.798  -2.275   0.956

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA  12           H        ALA  12 -12.156  -1.344  -2.322
    2    HA   ALA  12           HA       ALA  12 -10.758   0.893  -3.627
    3    HB3  ALA  12           HB1      ALA  12  -9.022  -0.524  -3.574
    4    HB2  ALA  12           HB2      ALA  12  -9.881  -1.542  -4.729
    5    HB1  ALA  12           HB3      ALA  12 -10.047  -1.839  -2.999

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLY  13           H        GLY  13 -12.849  -1.893  -4.270
    2    HA3  GLY  13           HA2      GLY  13 -14.668  -1.504  -5.888
    3    HA2  GLY  13           HA3      GLY  13 -13.467  -0.726  -6.912

  No H/Q in entry =           3
  In of MODEL   59
    1    H    MET  14           H        MET  14 -12.667  -3.707  -5.167
    2    HA   MET  14           HA       MET  14 -12.505  -5.007  -7.809
    3    HB2  MET  14           HB2      MET  14 -10.427  -4.770  -6.385
    4    HB3  MET  14           HB3      MET  14 -11.159  -5.928  -5.273
    5    HG2  MET  14           HG2      MET  14 -11.365  -7.560  -7.124
    6    HG3  MET  14           HG3      MET  14 -10.601  -6.408  -8.217
    7    HE1  MET  14           HE1      MET  14  -9.032  -8.091  -8.919
    8    HE3  MET  14           HE2      MET  14  -9.335  -9.407  -7.789
    9    HE2  MET  14           HE3      MET  14  -7.699  -8.790  -7.993

  No H/Q in entry =           9
  In of MODEL   59
    1    H    SER  15           H        SER  15 -12.842  -6.334  -4.550
    2    HA   SER  15           HA       SER  15 -14.100  -8.667  -5.191
    3    HB2  SER  15           HB2      SER  15 -15.130  -7.154  -2.825
    4    HB3  SER  15           HB3      SER  15 -14.752  -8.870  -2.981
    5    HG   SER  15           HG       SER  15 -12.785  -6.859  -3.253

  No H/Q in entry =           5
  In of MODEL   59
    1    H    THR  16           H        THR  16 -15.520  -5.469  -5.459
    2    HA   THR  16           HA       THR  16 -18.204  -6.682  -5.636
    3    HB   THR  16           HB       THR  16 -17.450  -3.765  -5.947
    4    HG1  THR  16           HG1      THR  16 -18.642  -4.679  -3.631
    5   HG23  THR  16          HG21      THR  16 -19.617  -4.055  -6.801
    6   HG22  THR  16          HG22      THR  16 -19.913  -3.623  -5.116
    7   HG21  THR  16          HG23      THR  16 -20.015  -5.309  -5.624

  No H/Q in entry =           7
  In of MODEL   59
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   59
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   59
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   59
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   59
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   59
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   59
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   59
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   59
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   59
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   59
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   59
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   59
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   59
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   59
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   59
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   59
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   59
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   59
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   59
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   59
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   59
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   59
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   59
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   59
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   59
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   59
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   59
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.078   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   59
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   59
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   59
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   59
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   59
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   59
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   59
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   59
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   59
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   59
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   59
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   59
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   59
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   59
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   59
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   59
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   59
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   59
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   59
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   59
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   59
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   59
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   59
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   59
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   59
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   59
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   59
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   59
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   59
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   59
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   59
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   59
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   59
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   59
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   59
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   59
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   59
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   59
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   60
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   60
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.296 -14.297  -2.718
    4    HB3  GLU   5           HB3      GLU   5 -14.702 -13.910  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.818 -12.524  -3.693
    6    HG3  GLU   5           HG3      GLU   5 -14.364 -11.484  -2.344

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   60
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   60
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   60
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.703  -8.439   1.531
    4    HB3  MET   9           HB3      MET   9 -15.032  -6.715   1.357
    5    HG2  MET   9           HG2      MET   9 -14.262  -6.768  -0.961
    6    HG3  MET   9           HG3      MET   9 -13.826  -8.469  -0.801
    7    HE3  MET   9           HE1      MET   9 -17.956  -6.559  -0.670
    8    HE2  MET   9           HE2      MET   9 -16.789  -6.085  -1.900
    9    HE1  MET   9           HE3      MET   9 -16.391  -5.888  -0.200

  No H/Q in entry =           9
  In of MODEL   60
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   60
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.933  -4.426   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.136  -6.132   0.947
    5   HG13  ILE  12          HG13      ILE  12  -9.681  -5.414  -0.556
    6   HG22  ILE  12          HG21      ILE  12  -8.804  -2.562   0.219
    7   HG21  ILE  12          HG22      ILE  12 -10.324  -2.049   0.953
    8   HG23  ILE  12          HG23      ILE  12 -10.328  -2.971  -0.556
    9   HD12  ILE  12          HD11      ILE  12  -7.127  -4.817   0.953
   10   HD11  ILE  12          HD12      ILE  12  -7.706  -3.853  -0.395
   11   HD13  ILE  12          HD13      ILE  12  -7.302  -5.548  -0.635

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.607   5.232
    4   HG12  ILE  13          HG12      ILE  13 -13.495  -3.058   2.663
    5   HG13  ILE  13          HG13      ILE  13 -14.921  -3.524   3.575
    6   HG22  ILE  13          HG21      ILE  13 -15.158  -1.861   5.686
    7   HG21  ILE  13          HG22      ILE  13 -13.884  -0.663   5.458
    8   HG23  ILE  13          HG23      ILE  13 -13.745  -1.864   6.742
    9   HD11  ILE  13          HD11      ILE  13 -14.221  -0.615   3.431
   10   HD13  ILE  13          HD12      ILE  13 -15.801  -1.377   3.564
   11   HD12  ILE  13          HD13      ILE  13 -14.953  -1.376   2.020

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   60
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   60
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   60
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   60
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   60
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   60
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   60
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   60
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   60
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   60
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   60
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   60
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   60
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   60
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   60
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   60
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   60
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   60
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   60
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   60
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.947  -6.668  10.567
    4    HB3  HIS  52           HB3      HIS  52  -1.109  -7.752  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.194 -10.109  11.718
    6    HD2  HIS  52           HD2      HIS  52   1.316  -7.141   9.015
    7    HE1  HIS  52           HE1      HIS  52   2.420 -10.830  10.747
    8    HE2  HIS  52           HE2      HIS  52   3.119  -9.029   9.098

  No H/Q in entry =           8
  In of MODEL   60
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   60
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   60
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   60
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.095 -14.220  10.983
    4    HG1  THR  56           HG1      THR  56  -0.412 -12.044   9.937
    5   HG22  THR  56          HG21      THR  56   1.855 -14.279  10.500
    6   HG21  THR  56          HG22      THR  56   0.935 -15.693   9.987
    7   HG23  THR  56          HG23      THR  56   0.884 -15.173  11.670

  No H/Q in entry =           7
  In of MODEL   60
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   60
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.911
    4   HG12  ILE  59          HG12      ILE  59   2.380 -16.257   3.437
    5   HG13  ILE  59          HG13      ILE  59   1.138 -15.326   2.614
    6   HG21  ILE  59          HG21      ILE  59   1.117 -16.007   6.802
    7   HG23  ILE  59          HG22      ILE  59   2.396 -15.068   6.078
    8   HG22  ILE  59          HG23      ILE  59   2.275 -16.787   5.739
    9   HD13  ILE  59          HD11      ILE  59   2.980 -13.848   2.722
   10   HD12  ILE  59          HD12      ILE  59   3.355 -14.313   4.381
   11   HD11  ILE  59          HD13      ILE  59   1.930 -13.332   4.042

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   60
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   60
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   60
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   60
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   60
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   60
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   60
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   60
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LEU  74           H        LEU  74  -4.195 -13.634  -2.383
    2    HA   LEU  74           HA       LEU  74  -3.791 -12.453   0.116
    3    HB2  LEU  74           HB2      LEU  74  -2.868 -14.613  -0.569
    4    HB3  LEU  74           HB3      LEU  74  -1.840 -13.816  -1.754
    5    HG   LEU  74           HG       LEU  74  -0.717 -12.593   0.099
    6   HD13  LEU  74          HD11      LEU  74  -2.285 -12.504   1.848
    7   HD12  LEU  74          HD12      LEU  74  -1.145 -13.723   2.414
    8   HD11  LEU  74          HD13      LEU  74  -2.685 -14.215   1.708
    9   HD22  LEU  74          HD21      LEU  74   0.724 -14.391   0.576
   10   HD21  LEU  74          HD22      LEU  74  -0.122 -14.993  -0.838
   11   HD23  LEU  74          HD23      LEU  74  -0.611 -15.525   0.766

  No H/Q in entry =          11
  In of MODEL   60
    1    H    VAL  75           H        VAL  75  -2.658 -11.573  -3.038
    2    HA   VAL  75           HA       VAL  75  -0.697  -9.663  -2.234
    3    HB   VAL  75           HB       VAL  75  -2.231 -10.048  -4.818
    4   HG12  VAL  75          HG11      VAL  75  -0.542  -8.500  -5.807
    5   HG11  VAL  75          HG12      VAL  75   0.039  -8.140  -4.183
    6   HG13  VAL  75          HG13      VAL  75  -1.603  -7.700  -4.649
    7   HG22  VAL  75          HG21      VAL  75  -0.670 -11.853  -4.356
    8   HG21  VAL  75          HG22      VAL  75   0.599 -10.707  -3.928
    9   HG23  VAL  75          HG23      VAL  75   0.044 -10.822  -5.596

  No H/Q in entry =           9
  In of MODEL   60
    1    H    HIS  76           H        HIS  76  -4.391  -9.277  -3.347
    2    HA   HIS  76           HA       HIS  76  -4.709  -6.502  -3.166
    3    HB2  HIS  76           HB2      HIS  76  -6.452  -8.097  -4.041
    4    HB3  HIS  76           HB3      HIS  76  -6.813  -8.545  -2.380
    5    HD1  HIS  76           HD1      HIS  76  -6.023  -4.939  -2.894
    6    HD2  HIS  76           HD2      HIS  76  -9.469  -7.313  -2.845
    7    HE1  HIS  76           HE1      HIS  76  -8.003  -3.345  -2.741

  No H/Q in entry =           7
  In of MODEL   60
    1    H    ALA  77           H        ALA  77  -4.710  -8.965  -0.658
    2    HA   ALA  77           HA       ALA  77  -5.516  -7.126   1.428
    3    HB2  ALA  77           HB1      ALA  77  -6.181  -9.326   1.871
    4    HB1  ALA  77           HB2      ALA  77  -4.759  -9.130   2.896
    5    HB3  ALA  77           HB3      ALA  77  -4.631 -10.004   1.370

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLN  78           H        GLN  78  -2.461  -8.796   0.526
    2    HA   GLN  78           HA       GLN  78  -0.922  -7.718   2.619
    3    HB2  GLN  78           HB2      GLN  78  -0.338  -9.648   1.046
    4    HB3  GLN  78           HB3      GLN  78   0.145  -8.417  -0.119
    5    HG2  GLN  78           HG2      GLN  78   1.712  -7.480   1.557
    6    HG3  GLN  78           HG3      GLN  78   1.266  -8.767   2.674
    7   HE21  GLN  78          HE21      GLN  78   3.151 -10.060   2.702
    8   HE22  GLN  78          HE22      GLN  78   3.861 -10.724   1.311

  No H/Q in entry =           8
  In of MODEL   60
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   60
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.204   1.197
    4    HB3  HIS  80           HB3      HIS  80  -5.394  -2.785   2.192
    5    HD1  HIS  80           HD1      HIS  80  -6.759  -0.998   1.127
    6    HD2  HIS  80           HD2      HIS  80  -4.980  -3.474  -1.717
    7    HE1  HIS  80           HE1      HIS  80  -7.615  -0.224  -1.135
    8    HE2  HIS  80           HE2      HIS  80  -6.537  -1.728  -2.878

  No H/Q in entry =           8
  In of MODEL   60
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   60
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   60
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   60
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   60
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   60
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   60
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   60
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   60
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   60
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   60
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   60
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   60
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   60
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   60
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.440 -20.441  -4.418
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.880  -3.454
    5    HG2  GLU   5           HG2      GLU   5   9.930 -21.083  -2.021
    6    HG3  GLU   5           HG3      GLU   5  10.805 -19.637  -1.519

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   60
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   60
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   60
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.024 -16.713   0.848
    4    HB3  MET   9           HB3      MET   9  13.745 -16.162   2.500
    5    HG2  MET   9           HG2      MET   9  11.345 -16.571   2.266
    6    HG3  MET   9           HG3      MET   9  11.569 -17.042   0.581
    7    HE3  MET   9           HE1      MET   9  13.009 -19.149   4.355
    8    HE2  MET   9           HE2      MET   9  11.361 -18.538   4.239
    9    HE1  MET   9           HE3      MET   9  12.719 -17.429   4.068

  No H/Q in entry =           9
  In of MODEL   60
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   60
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.957   2.292
    4   HG12  ILE  12          HG12      ILE  12  10.814 -11.435  -0.035
    5   HG13  ILE  12          HG13      ILE  12   9.695 -12.293   1.005
    6   HG21  ILE  12          HG21      ILE  12   9.748  -9.775   3.091
    7   HG23  ILE  12          HG22      ILE  12  10.885 -10.610   4.149
    8   HG22  ILE  12          HG23      ILE  12   9.531 -11.488   3.439
    9   HD12  ILE  12          HD11      ILE  12   9.674  -9.324   0.420
   10   HD11  ILE  12          HD12      ILE  12   8.568 -10.151   1.502
   11   HD13  ILE  12          HD13      ILE  12   8.559 -10.524  -0.216

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.811 -12.620   4.661
    5   HG13  ILE  13          HG13      ILE  13  15.289 -13.528   4.959
    6   HG22  ILE  13          HG21      ILE  13  17.026 -11.967   6.254
    7   HG21  ILE  13          HG22      ILE  13  16.130 -10.497   6.634
    8   HG23  ILE  13          HG23      ILE  13  17.403 -10.464   5.413
    9   HD11  ILE  13          HD11      ILE  13  14.401 -11.561   7.036
   10   HD13  ILE  13          HD12      ILE  13  15.269 -13.082   7.232
   11   HD12  ILE  13          HD13      ILE  13  13.536 -13.091   6.909

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   60
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   60
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   60
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   60
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   60
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   60
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   60
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   60
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   60
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   60
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   60
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   60
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   60
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   60
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   60
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   60
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   60
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   60
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   60
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   60
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.317  -1.676  -5.684
    4    HB3  HIS  52           HB3      HIS  52  17.785  -1.772  -6.658
    5    HD1  HIS  52           HD1      HIS  52  17.382  -2.090  -9.312
    6    HD2  HIS  52           HD2      HIS  52  14.063  -0.871  -7.104
    7    HE1  HIS  52           HE1      HIS  52  15.704  -1.190 -10.981
    8    HE2  HIS  52           HE2      HIS  52  13.675  -0.441  -9.651

  No H/Q in entry =           8
  In of MODEL   60
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   60
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   60
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   60
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.456 -12.065
    4    HG1  THR  56           HG1      THR  56  16.296  -4.274 -10.466
    5   HG22  THR  56          HG21      THR  56  16.195  -3.470 -13.596
    6   HG21  THR  56          HG22      THR  56  16.309  -5.097 -14.267
    7   HG23  THR  56          HG23      THR  56  17.773  -4.163 -13.968

  No H/Q in entry =           7
  In of MODEL   60
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   60
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.838  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.889  -7.041 -14.837
    5   HG13  ILE  59          HG13      ILE  59   9.522  -7.847 -13.320
    6   HG21  ILE  59          HG21      ILE  59  13.405  -6.450 -14.308
    7   HG23  ILE  59          HG22      ILE  59  12.100  -5.313 -14.093
    8   HG22  ILE  59          HG23      ILE  59  12.083  -6.414 -15.461
    9   HD13  ILE  59          HD11      ILE  59   8.659  -5.665 -13.030
   10   HD12  ILE  59          HD12      ILE  59  10.069  -4.923 -13.786
   11   HD11  ILE  59          HD13      ILE  59  10.204  -5.637 -12.180

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   60
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   60
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   60
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   60
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   60
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   60
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   60
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   60
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LEU  74           H        LEU  74   6.936 -13.096  -8.618
    2    HA   LEU  74           HA       LEU  74   8.867 -11.146  -8.080
    3    HB2  LEU  74           HB2      LEU  74   8.195 -11.841 -10.326
    4    HB3  LEU  74           HB3      LEU  74   6.587 -11.170 -10.073
    5    HG   LEU  74           HG       LEU  74   7.620  -8.917  -9.796
    6   HD13  LEU  74          HD11      LEU  74   9.828  -9.311  -9.091
    7   HD12  LEU  74          HD12      LEU  74  10.040  -8.836 -10.775
    8   HD11  LEU  74          HD13      LEU  74  10.107 -10.540 -10.323
    9   HD22  LEU  74          HD21      LEU  74   7.712  -8.547 -12.118
   10   HD21  LEU  74          HD22      LEU  74   6.865 -10.081 -12.045
   11   HD23  LEU  74          HD23      LEU  74   8.586 -10.049 -12.412

  No H/Q in entry =          11
  In of MODEL   60
    1    H    VAL  75           H        VAL  75   5.407 -11.110  -7.742
    2    HA   VAL  75           HA       VAL  75   5.069  -8.347  -7.172
    3    HB   VAL  75           HB       VAL  75   3.415 -10.786  -6.475
    4   HG12  VAL  75          HG11      VAL  75   1.623  -9.178  -5.867
    5   HG11  VAL  75          HG12      VAL  75   2.769  -7.850  -6.051
    6   HG13  VAL  75          HG13      VAL  75   3.012  -9.055  -4.787
    7   HG22  VAL  75          HG21      VAL  75   3.451 -10.279  -8.854
    8   HG21  VAL  75          HG22      VAL  75   3.151  -8.570  -8.539
    9   HG23  VAL  75          HG23      VAL  75   1.894  -9.760  -8.207

  No H/Q in entry =           9
  In of MODEL   60
    1    H    HIS  76           H        HIS  76   5.560 -11.260  -4.989
    2    HA   HIS  76           HA       HIS  76   5.345  -9.947  -2.521
    3    HB2  HIS  76           HB2      HIS  76   5.548 -12.458  -2.943
    4    HB3  HIS  76           HB3      HIS  76   7.289 -12.193  -3.052
    5    HD1  HIS  76           HD1      HIS  76   5.231 -10.142  -0.692
    6    HD2  HIS  76           HD2      HIS  76   7.757 -13.454  -0.521
    7    HE1  HIS  76           HE1      HIS  76   5.723 -10.542   1.759

  No H/Q in entry =           7
  In of MODEL   60
    1    H    ALA  77           H        ALA  77   8.177 -10.463  -4.603
    2    HA   ALA  77           HA       ALA  77  10.013  -9.160  -2.851
    3    HB1  ALA  77           HB1      ALA  77  11.043 -10.585  -4.387
    4    HB3  ALA  77           HB2      ALA  77  11.369  -8.995  -5.073
    5    HB2  ALA  77           HB3      ALA  77  10.079  -9.993  -5.741

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLN  78           H        GLN  78   8.146  -8.072  -5.685
    2    HA   GLN  78           HA       GLN  78   9.281  -5.479  -5.802
    3    HB2  GLN  78           HB2      GLN  78   7.889  -6.704  -7.578
    4    HB3  GLN  78           HB3      GLN  78   6.474  -6.189  -6.660
    5    HG2  GLN  78           HG2      GLN  78   7.221  -3.837  -6.865
    6    HG3  GLN  78           HG3      GLN  78   8.591  -4.369  -7.838
    7   HE21  GLN  78          HE21      GLN  78   8.036  -3.611  -9.917
    8   HE22  GLN  78          HE22      GLN  78   6.583  -3.997 -10.707

  No H/Q in entry =           8
  In of MODEL   60
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   60
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.186  -7.444  -0.521
    4    HB3  HIS  80           HB3      HIS  80  10.030  -6.562   0.754
    5    HD1  HIS  80           HD1      HIS  80   9.381  -7.122   3.088
    6    HD2  HIS  80           HD2      HIS  80   6.427  -8.234   0.364
    7    HE1  HIS  80           HE1      HIS  80   7.582  -8.318   4.425
    8    HE2  HIS  80           HE2      HIS  80   5.775  -9.000   2.773

  No H/Q in entry =           8
  In of MODEL   60
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   60
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   60
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   60
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   60
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   60
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   60
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   60
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   60
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   60
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   60
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   60
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   60
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   60
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   60
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.091  -6.378 -21.748
    4    HB3  GLU   5           HB3      GLU   5   0.438  -5.138 -22.953
    5    HG2  GLU   5           HG2      GLU   5   2.547  -6.090 -22.283
    6    HG3  GLU   5           HG3      GLU   5   2.450  -4.482 -21.570

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   60
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   60
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   60
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.882   0.417 -20.997
    4    HB3  MET   9           HB3      MET   9   4.413   1.179 -20.559
    5    HG2  MET   9           HG2      MET   9   5.232  -0.933 -19.633
    6    HG3  MET   9           HG3      MET   9   3.684  -1.706 -19.974
    7    HE3  MET   9           HE1      MET   9   6.800  -0.125 -22.894
    8    HE2  MET   9           HE2      MET   9   7.281  -1.107 -21.512
    9    HE1  MET   9           HE3      MET   9   6.421   0.409 -21.252

  No H/Q in entry =           9
  In of MODEL   60
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   60
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.462   1.678 -15.889
    4   HG12  ILE  12          HG12      ILE  12   2.641   0.310 -14.758
    5   HG13  ILE  12          HG13      ILE  12   4.153  -0.531 -15.021
    6   HG21  ILE  12          HG21      ILE  12   5.655   1.661 -13.108
    7   HG23  ILE  12          HG22      ILE  12   6.270   2.533 -14.513
    8   HG22  ILE  12          HG23      ILE  12   6.302   0.771 -14.485
    9   HD12  ILE  12          HD11      ILE  12   3.226   0.703 -12.420
   10   HD11  ILE  12          HD12      ILE  12   4.767  -0.098 -12.669
   11   HD13  ILE  12          HD13      ILE  12   3.269  -1.009 -12.808

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.812 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.828   3.929 -17.790
    5   HG13  ILE  13          HG13      ILE  13   5.623   4.705 -19.357
    6   HG22  ILE  13          HG21      ILE  13   5.866   7.346 -19.061
    7   HG21  ILE  13          HG22      ILE  13   6.364   7.580 -17.385
    8   HG23  ILE  13          HG23      ILE  13   4.740   8.042 -17.895
    9   HD11  ILE  13          HD11      ILE  13   7.583   5.903 -17.434
   10   HD13  ILE  13          HD12      ILE  13   7.620   5.867 -19.196
   11   HD12  ILE  13          HD13      ILE  13   8.035   4.422 -18.277

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   60
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   60
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   60
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   60
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   60
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   60
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   60
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   60
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   60
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   60
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   60
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   60
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   60
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   60
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   60
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   60
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   60
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   60
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   60
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   60
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.040  -8.753
    4    HB3  HIS  52           HB3      HIS  52  -7.534   7.690  -9.498
    5    HD1  HIS  52           HD1      HIS  52  -9.720   6.114  -9.299
    6    HD2  HIS  52           HD2      HIS  52  -6.559   5.169  -6.751
    7    HE1  HIS  52           HE1      HIS  52 -10.674   4.609  -7.507
    8    HE2  HIS  52           HE2      HIS  52  -8.762   4.027  -5.937

  No H/Q in entry =           8
  In of MODEL   60
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   60
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   60
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   60
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.901   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.019   3.711 -10.462
    5   HG22  THR  56          HG21      THR  56 -12.947   2.774  -9.432
    6   HG21  THR  56          HG22      THR  56 -13.311   1.680 -10.766
    7   HG23  THR  56          HG23      THR  56 -13.808   3.368 -10.851

  No H/Q in entry =           7
  In of MODEL   60
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   60
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.663  -1.973 -10.404
    4   HG12  ILE  59          HG12      ILE  59 -10.937  -4.330  -9.011
    5   HG13  ILE  59          HG13      ILE  59  -9.339  -4.423  -9.733
    6   HG23  ILE  59          HG21      ILE  59 -11.912  -1.103 -10.317
    7   HG22  ILE  59          HG22      ILE  59 -11.498  -1.677  -8.723
    8   HG21  ILE  59          HG23      ILE  59 -12.554  -2.633  -9.750
    9   HD13  ILE  59          HD11      ILE  59  -8.852  -3.803  -7.528
   10   HD12  ILE  59          HD12      ILE  59 -10.256  -2.743  -7.422
   11   HD11  ILE  59          HD13      ILE  59  -8.852  -2.254  -8.370

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   60
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   60
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   60
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   60
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   60
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   60
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   60
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   60
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   60
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LEU  74           H        LEU  74  -3.298  -7.027 -13.318
    2    HA   LEU  74           HA       LEU  74  -3.866  -4.366 -12.698
    3    HB2  LEU  74           HB2      LEU  74  -5.522  -6.173 -12.714
    4    HB3  LEU  74           HB3      LEU  74  -4.731  -6.935 -11.340
    5    HG   LEU  74           HG       LEU  74  -5.224  -4.904  -9.983
    6   HD13  LEU  74          HD11      LEU  74  -5.426  -3.144 -11.526
    7   HD12  LEU  74          HD12      LEU  74  -7.100  -3.447 -11.065
    8   HD11  LEU  74          HD13      LEU  74  -6.480  -4.069 -12.594
    9   HD22  LEU  74          HD21      LEU  74  -7.416  -5.615  -9.492
   10   HD21  LEU  74          HD22      LEU  74  -6.785  -7.003 -10.361
   11   HD23  LEU  74          HD23      LEU  74  -7.817  -5.845 -11.192

  No H/Q in entry =          11
  In of MODEL   60
    1    H    VAL  75           H        VAL  75  -2.161  -6.813 -10.916
    2    HA   VAL  75           HA       VAL  75  -1.900  -5.444  -8.444
    3    HB   VAL  75           HB       VAL  75  -0.241  -7.623  -9.725
    4   HG12  VAL  75          HG11      VAL  75   0.795  -7.896  -7.484
    5   HG11  VAL  75          HG12      VAL  75  -0.040  -6.444  -6.935
    6   HG13  VAL  75          HG13      VAL  75   1.183  -6.332  -8.200
    7   HG22  VAL  75          HG21      VAL  75  -2.478  -8.346  -9.088
    8   HG21  VAL  75          HG22      VAL  75  -2.329  -7.563  -7.514
    9   HG23  VAL  75          HG23      VAL  75  -1.341  -8.972  -7.895

  No H/Q in entry =           9
  In of MODEL   60
    1    H    HIS  76           H        HIS  76   0.298  -5.619 -11.376
    2    HA   HIS  76           HA       HIS  76   2.403  -4.066 -10.361
    3    HB2  HIS  76           HB2      HIS  76   2.301  -5.380 -12.570
    4    HB3  HIS  76           HB3      HIS  76   1.524  -3.945 -13.240
    5    HD1  HIS  76           HD1      HIS  76   3.401  -2.961 -14.616
    6    HD2  HIS  76           HD2      HIS  76   4.608  -3.872 -10.732
    7    HE1  HIS  76           HE1      HIS  76   5.736  -2.018 -14.353

  No H/Q in entry =           7
  In of MODEL   60
    1    H    ALA  77           H        ALA  77  -0.548  -3.091 -12.093
    2    HA   ALA  77           HA       ALA  77   0.095  -0.313 -12.116
    3    HB1  ALA  77           HB1      ALA  77  -1.510  -0.921 -13.704
    4    HB3  ALA  77           HB2      ALA  77  -2.489  -0.151 -12.456
    5    HB2  ALA  77           HB3      ALA  77  -2.419  -1.910 -12.559

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLN  78           H        GLN  78  -1.844  -2.356  -9.941
    2    HA   GLN  78           HA       GLN  78  -2.783  -0.235  -8.311
    3    HB2  GLN  78           HB2      GLN  78  -3.646  -2.649  -8.458
    4    HB3  GLN  78           HB3      GLN  78  -2.318  -3.067  -7.375
    5    HG2  GLN  78           HG2      GLN  78  -3.140  -1.389  -5.750
    6    HG3  GLN  78           HG3      GLN  78  -4.499  -1.041  -6.817
    7   HE21  GLN  78          HE21      GLN  78  -6.256  -1.943  -5.673
    8   HE22  GLN  78          HE22      GLN  78  -6.324  -3.561  -5.167

  No H/Q in entry =           8
  In of MODEL   60
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   60
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.300   0.911 -10.477
    4    HB3  HIS  80           HB3      HIS  80   2.992   2.523 -10.287
    5    HD1  HIS  80           HD1      HIS  80   5.440   2.716 -10.662
    6    HD2  HIS  80           HD2      HIS  80   4.325  -1.209  -9.812
    7    HE1  HIS  80           HE1      HIS  80   7.542   1.306 -10.886
    8    HE2  HIS  80           HE2      HIS  80   6.872  -1.091 -10.371

  No H/Q in entry =           8
  In of MODEL   60
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   60
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   60
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   60
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   60
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   60
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   60
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   60
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   60
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   60
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   60
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   60
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   60
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   60
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   60
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   60
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   60
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   60
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   60
    1    H    PHE   9           H        PHE   9 -21.293   0.642  -3.910
    2    HA   PHE   9           HA       PHE   9 -18.535   1.543  -4.535
    3    HB2  PHE   9           HB2      PHE   9 -20.368   2.457  -2.310
    4    HB3  PHE   9           HB3      PHE   9 -18.660   2.877  -2.432
    5    HD1  PHE   9           HD1      PHE   9 -22.011   3.491  -3.711
    6    HD2  PHE   9           HD2      PHE   9 -17.831   4.216  -4.374
    7    HE1  PHE   9           HE1      PHE   9 -22.580   5.334  -5.267
    8    HE2  PHE   9           HE2      PHE   9 -18.400   6.060  -5.935
    9    HZ   PHE   9           HZ       PHE   9 -20.774   6.619  -6.381

  No H/Q in entry =           9
  In of MODEL   60
    1    H    CYS  10           H        CYS  10 -16.937   0.935  -3.218
    2    HA   CYS  10           HA       CYS  10 -17.201  -0.725  -0.879
    3    HB2  CYS  10           HB2      CYS  10 -16.127  -2.687  -1.659
    4    HB3  CYS  10           HB3      CYS  10 -17.301  -2.307  -2.923

  No H/Q in entry =           4
  In of MODEL   60
    1    H    SER  11           H        SER  11 -14.432  -1.460  -0.446
    2    HA   SER  11           HA       SER  11 -13.471   1.171  -0.052
    3    HB2  SER  11           HB2      SER  11 -12.206  -1.538   0.185
    4    HB3  SER  11           HB3      SER  11 -11.221  -0.098   0.333
    5    HG   SER  11           HG       SER  11 -12.618   0.604   1.990

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA  12           H        ALA  12 -12.193  -1.359  -2.372
    2    HA   ALA  12           HA       ALA  12 -10.795   0.875  -3.688
    3    HB3  ALA  12           HB1      ALA  12  -9.034  -0.506  -3.548
    4    HB2  ALA  12           HB2      ALA  12  -9.836  -1.555  -4.717
    5    HB1  ALA  12           HB3      ALA  12 -10.049  -1.835  -2.989

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLY  13           H        GLY  13 -13.067  -1.729  -4.188
    2    HA3  GLY  13           HA2      GLY  13 -14.779  -1.494  -5.862
    3    HA2  GLY  13           HA3      GLY  13 -13.599  -0.692  -6.892

  No H/Q in entry =           3
  In of MODEL   60
    1    H    MET  14           H        MET  14 -12.698  -3.649  -5.155
    2    HA   MET  14           HA       MET  14 -12.517  -4.946  -7.795
    3    HB2  MET  14           HB2      MET  14 -10.454  -4.685  -6.362
    4    HB3  MET  14           HB3      MET  14 -11.176  -5.844  -5.246
    5    HG2  MET  14           HG2      MET  14 -11.482  -7.335  -7.361
    6    HG3  MET  14           HG3      MET  14 -10.276  -6.276  -8.089
    7    HE3  MET  14           HE1      MET  14  -7.888  -8.976  -7.599
    8    HE2  MET  14           HE2      MET  14  -7.626  -7.271  -7.950
    9    HE1  MET  14           HE3      MET  14  -9.029  -8.095  -8.622

  No H/Q in entry =           9
  In of MODEL   60
    1    H    SER  15           H        SER  15 -12.842  -6.311  -4.551
    2    HA   SER  15           HA       SER  15 -14.078  -8.650  -5.220
    3    HB2  SER  15           HB2      SER  15 -13.417  -7.791  -2.889
    4    HB3  SER  15           HB3      SER  15 -15.045  -7.116  -2.826
    5    HG   SER  15           HG       SER  15 -14.963  -9.681  -3.763

  No H/Q in entry =           5
  In of MODEL   60
    1    H    THR  16           H        THR  16 -15.514  -5.469  -5.464
    2    HA   THR  16           HA       THR  16 -18.197  -6.685  -5.633
    3    HB   THR  16           HB       THR  16 -17.448  -3.768  -5.946
    4    HG1  THR  16           HG1      THR  16 -18.315  -3.769  -3.712
    5   HG23  THR  16          HG21      THR  16 -19.618  -4.059  -6.791
    6   HG22  THR  16          HG22      THR  16 -19.909  -3.630  -5.105
    7   HG21  THR  16          HG23      THR  16 -20.009  -5.315  -5.616

  No H/Q in entry =           7
  In of MODEL   60
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   60
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   60
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   60
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   60
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   60
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   60
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   60
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   60
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   60
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   60
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   60
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   60
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   60
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   60
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   60
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   60
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   60
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   60
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   60
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   60
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   60
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   60
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   60
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   60
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   60
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   60
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   60
    1    HA   PRO  58           HA       PRO  58 -23.312  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.051  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.328  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.007
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   60
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   60
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   60
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   60
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   60
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   60
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   60
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   60
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   60
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   60
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   60
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   60
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   60
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   60
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   60
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   60
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   60
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   60
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   60
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   60
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   60
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   60
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   60
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   60
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   60
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   60
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   60
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   60
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   60
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   60
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   60
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   60
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   60
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   60
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   60
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   60
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   60
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   60
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   61
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   61
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.287 -14.282  -2.730
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.929  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.572 -11.557  -2.349
    6    HG3  GLU   5           HG3      GLU   5 -13.138 -11.876  -3.325

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   61
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   61
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   61
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.710  -8.428   1.548
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.706   1.337
    5    HG2  MET   9           HG2      MET   9 -14.270  -6.804  -0.974
    6    HG3  MET   9           HG3      MET   9 -13.808  -8.495  -0.782
    7    HE2  MET   9           HE1      MET   9 -17.817  -6.507  -1.173
    8    HE1  MET   9           HE2      MET   9 -16.293  -5.869  -0.565
    9    HE3  MET   9           HE3      MET   9 -17.381  -6.713   0.526

  No H/Q in entry =           9
  In of MODEL   61
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   61
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.384   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.234  -6.169   0.973
    5   HG13  ILE  12          HG13      ILE  12  -9.706  -5.432  -0.545
    6   HG23  ILE  12          HG21      ILE  12 -10.274  -2.966  -0.584
    7   HG22  ILE  12          HG22      ILE  12  -8.741  -2.606   0.212
    8   HG21  ILE  12          HG23      ILE  12 -10.265  -2.061   0.923
    9   HD11  ILE  12          HD11      ILE  12  -7.632  -3.970  -0.308
   10   HD13  ILE  12          HD12      ILE  12  -7.334  -5.676  -0.588
   11   HD12  ILE  12          HD13      ILE  12  -7.178  -5.010   1.032

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.604   5.239
    4   HG12  ILE  13          HG12      ILE  13 -13.491  -3.082   2.668
    5   HG13  ILE  13          HG13      ILE  13 -14.923  -3.526   3.580
    6   HG22  ILE  13          HG21      ILE  13 -15.163  -1.842   5.659
    7   HG21  ILE  13          HG22      ILE  13 -13.870  -0.659   5.458
    8   HG23  ILE  13          HG23      ILE  13 -13.768  -1.868   6.739
    9   HD11  ILE  13          HD11      ILE  13 -14.207  -0.625   3.414
   10   HD13  ILE  13          HD12      ILE  13 -15.792  -1.379   3.532
   11   HD12  ILE  13          HD13      ILE  13 -14.924  -1.393   1.999

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   61
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   61
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   61
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   61
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   61
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   61
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   61
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   61
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   61
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   61
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   61
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   61
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   61
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   61
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   61
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   61
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   61
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   61
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   61
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   61
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.956  -6.664  10.579
    4    HB3  HIS  52           HB3      HIS  52  -1.101  -7.765  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.208 -10.120  11.667
    6    HD2  HIS  52           HD2      HIS  52   1.308  -7.094   9.020
    7    HE1  HIS  52           HE1      HIS  52   2.434 -10.811  10.675
    8    HE2  HIS  52           HE2      HIS  52   3.119  -8.975   9.060

  No H/Q in entry =           8
  In of MODEL   61
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   61
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   61
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   61
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.217  10.983
    4    HG1  THR  56           HG1      THR  56   0.842 -12.379  10.035
    5   HG21  THR  56          HG21      THR  56   0.957 -15.683   9.971
    6   HG23  THR  56          HG22      THR  56   0.871 -15.198  11.664
    7   HG22  THR  56          HG23      THR  56   1.844 -14.265  10.529

  No H/Q in entry =           7
  In of MODEL   61
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   61
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.633   4.910
    4   HG12  ILE  59          HG12      ILE  59   2.377 -16.262   3.436
    5   HG13  ILE  59          HG13      ILE  59   1.140 -15.322   2.615
    6   HG21  ILE  59          HG21      ILE  59   1.115 -16.008   6.802
    7   HG23  ILE  59          HG22      ILE  59   2.392 -15.066   6.081
    8   HG22  ILE  59          HG23      ILE  59   2.275 -16.785   5.741
    9   HD13  ILE  59          HD11      ILE  59   2.988 -13.852   2.728
   10   HD12  ILE  59          HD12      ILE  59   3.365 -14.328   4.384
   11   HD11  ILE  59          HD13      ILE  59   1.945 -13.337   4.053

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   61
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   61
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   61
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   61
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   61
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   61
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   61
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   61
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LEU  74           H        LEU  74  -4.265 -13.667  -2.361
    2    HA   LEU  74           HA       LEU  74  -3.861 -12.538   0.147
    3    HB2  LEU  74           HB2      LEU  74  -2.971 -14.698  -0.498
    4    HB3  LEU  74           HB3      LEU  74  -1.958 -13.954  -1.729
    5    HG   LEU  74           HG       LEU  74  -0.711 -12.758   0.035
    6   HD11  LEU  74          HD11      LEU  74  -2.734 -14.157   1.773
    7   HD13  LEU  74          HD12      LEU  74  -2.232 -12.468   1.808
    8   HD12  LEU  74          HD13      LEU  74  -1.153 -13.722   2.422
    9   HD21  LEU  74          HD21      LEU  74  -0.349 -15.292  -0.767
   10   HD23  LEU  74          HD22      LEU  74  -0.731 -15.623   0.914
   11   HD22  LEU  74          HD23      LEU  74   0.635 -14.589   0.515

  No H/Q in entry =          11
  In of MODEL   61
    1    H    VAL  75           H        VAL  75  -2.641 -11.593  -2.971
    2    HA   VAL  75           HA       VAL  75  -0.676  -9.755  -1.975
    3    HB   VAL  75           HB       VAL  75  -1.964  -9.659  -4.708
    4   HG13  VAL  75          HG11      VAL  75  -0.480  -7.866  -4.508
    5   HG12  VAL  75          HG12      VAL  75   0.554  -9.115  -5.201
    6   HG11  VAL  75          HG13      VAL  75   0.628  -8.767  -3.475
    7   HG23  VAL  75          HG21      VAL  75   0.013 -11.243  -5.305
    8   HG22  VAL  75          HG22      VAL  75  -1.406 -11.958  -4.540
    9   HG21  VAL  75          HG23      VAL  75   0.036 -11.625  -3.583

  No H/Q in entry =           9
  In of MODEL   61
    1    H    HIS  76           H        HIS  76  -4.296  -9.362  -3.275
    2    HA   HIS  76           HA       HIS  76  -4.614  -6.583  -3.198
    3    HB2  HIS  76           HB2      HIS  76  -6.345  -8.140  -4.090
    4    HB3  HIS  76           HB3      HIS  76  -6.716  -8.643  -2.446
    5    HD1  HIS  76           HD1      HIS  76  -5.984  -5.015  -2.794
    6    HD2  HIS  76           HD2      HIS  76  -9.390  -7.441  -2.954
    7    HE1  HIS  76           HE1      HIS  76  -7.993  -3.460  -2.630

  No H/Q in entry =           7
  In of MODEL   61
    1    H    ALA  77           H        ALA  77  -4.686  -8.962  -0.633
    2    HA   ALA  77           HA       ALA  77  -5.523  -7.061   1.392
    3    HB2  ALA  77           HB1      ALA  77  -4.828  -9.046   2.922
    4    HB1  ALA  77           HB2      ALA  77  -4.692  -9.951   1.415
    5    HB3  ALA  77           HB3      ALA  77  -6.238  -9.241   1.878

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLN  78           H        GLN  78  -2.479  -8.769   0.541
    2    HA   GLN  78           HA       GLN  78  -0.946  -7.685   2.644
    3    HB2  GLN  78           HB2      GLN  78  -0.358  -9.638   1.110
    4    HB3  GLN  78           HB3      GLN  78   0.120  -8.432  -0.084
    5    HG2  GLN  78           HG2      GLN  78   1.705  -7.464   1.546
    6    HG3  GLN  78           HG3      GLN  78   1.248  -8.698   2.717
    7   HE21  GLN  78          HE21      GLN  78   3.945  -8.534   1.844
    8   HE22  GLN  78          HE22      GLN  78   4.294  -9.890   0.885

  No H/Q in entry =           8
  In of MODEL   61
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   61
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.180
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.799   2.199
    5    HD1  HIS  80           HD1      HIS  80  -6.744  -0.983   1.166
    6    HD2  HIS  80           HD2      HIS  80  -5.007  -3.439  -1.721
    7    HE1  HIS  80           HE1      HIS  80  -7.612  -0.176  -1.080
    8    HE2  HIS  80           HE2      HIS  80  -6.560  -1.668  -2.849

  No H/Q in entry =           8
  In of MODEL   61
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   61
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   61
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   61
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   61
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   61
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   61
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   61
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   61
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   61
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   61
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   61
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   61
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   61
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   61
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.422 -20.432  -4.408
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.476
    5    HG2  GLU   5           HG2      GLU   5  10.900 -19.844  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.485 -19.333  -2.390

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   61
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   61
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   61
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.039 -16.706   0.858
    4    HB3  MET   9           HB3      MET   9  13.727 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.338 -16.592   2.238
    6    HG3  MET   9           HG3      MET   9  11.586 -17.042   0.550
    7    HE2  MET   9           HE1      MET   9  12.575 -19.188   4.387
    8    HE1  MET   9           HE2      MET   9  12.409 -17.463   4.069
    9    HE3  MET   9           HE3      MET   9  13.956 -18.259   3.791

  No H/Q in entry =           9
  In of MODEL   61
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   61
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.309
    4   HG12  ILE  12          HG12      ILE  12  10.848 -11.554  -0.015
    5   HG13  ILE  12          HG13      ILE  12   9.640 -12.258   1.041
    6   HG22  ILE  12          HG21      ILE  12   9.520 -11.480   3.432
    7   HG21  ILE  12          HG22      ILE  12   9.730  -9.768   3.065
    8   HG23  ILE  12          HG23      ILE  12  10.865 -10.587   4.136
    9   HD11  ILE  12          HD11      ILE  12   8.792  -9.875   1.390
   10   HD13  ILE  12          HD12      ILE  12   8.547 -10.557  -0.208
   11   HD12  ILE  12          HD13      ILE  12   9.859  -9.420   0.070

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.107 -11.631   3.847
    4   HG12  ILE  13          HG12      ILE  13  13.817 -12.627   4.641
    5   HG13  ILE  13          HG13      ILE  13  15.295 -13.529   4.960
    6   HG22  ILE  13          HG21      ILE  13  17.004 -11.971   6.274
    7   HG21  ILE  13          HG22      ILE  13  16.127 -10.484   6.629
    8   HG23  ILE  13          HG23      ILE  13  17.410 -10.483   5.419
    9   HD11  ILE  13          HD11      ILE  13  14.413 -11.560   7.029
   10   HD13  ILE  13          HD12      ILE  13  15.222 -13.113   7.229
   11   HD12  ILE  13          HD13      ILE  13  13.495 -13.057   6.882

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   61
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   61
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   61
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   61
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   61
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   61
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   61
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   61
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   61
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   61
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   61
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   61
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   61
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   61
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   61
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   61
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   61
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   61
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   61
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   61
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.331  -1.676  -5.677
    4    HB3  HIS  52           HB3      HIS  52  17.783  -1.773  -6.674
    5    HD1  HIS  52           HD1      HIS  52  17.331  -2.108  -9.323
    6    HD2  HIS  52           HD2      HIS  52  14.065  -0.849  -7.060
    7    HE1  HIS  52           HE1      HIS  52  15.631  -1.202 -10.965
    8    HE2  HIS  52           HE2      HIS  52  13.633  -0.428  -9.601

  No H/Q in entry =           8
  In of MODEL   61
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   61
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   61
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   61
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.062
    4    HG1  THR  56           HG1      THR  56  15.923  -3.458 -11.412
    5   HG21  THR  56          HG21      THR  56  16.281  -5.081 -14.267
    6   HG23  THR  56          HG22      THR  56  17.776  -4.191 -13.984
    7   HG22  THR  56          HG23      THR  56  16.225  -3.459 -13.580

  No H/Q in entry =           7
  In of MODEL   61
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   61
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.835  -7.163 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.892  -7.044 -14.841
    5   HG13  ILE  59          HG13      ILE  59   9.521  -7.842 -13.320
    6   HG21  ILE  59          HG21      ILE  59  13.408  -6.453 -14.304
    7   HG23  ILE  59          HG22      ILE  59  12.105  -5.313 -14.088
    8   HG22  ILE  59          HG23      ILE  59  12.087  -6.411 -15.459
    9   HD13  ILE  59          HD11      ILE  59   8.661  -5.658 -13.042
   10   HD12  ILE  59          HD12      ILE  59  10.071  -4.922 -13.801
   11   HD11  ILE  59          HD13      ILE  59  10.205  -5.628 -12.192

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   61
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   61
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   61
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   61
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   61
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   61
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   61
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   61
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LEU  74           H        LEU  74   6.977 -13.146  -8.614
    2    HA   LEU  74           HA       LEU  74   8.922 -11.212  -8.116
    3    HB2  LEU  74           HB2      LEU  74   8.305 -11.927 -10.349
    4    HB3  LEU  74           HB3      LEU  74   6.670 -11.312 -10.135
    5    HG   LEU  74           HG       LEU  74   7.573  -9.018  -9.942
    6   HD11  LEU  74          HD11      LEU  74  10.172 -10.511 -10.249
    7   HD13  LEU  74          HD12      LEU  74   9.751  -9.264  -9.077
    8   HD12  LEU  74          HD13      LEU  74  10.045  -8.829 -10.760
    9   HD21  LEU  74          HD21      LEU  74   7.075 -10.379 -12.198
   10   HD23  LEU  74          HD22      LEU  74   8.793 -10.126 -12.446
   11   HD22  LEU  74          HD23      LEU  74   7.726  -8.742 -12.243

  No H/Q in entry =          11
  In of MODEL   61
    1    H    VAL  75           H        VAL  75   5.434 -11.040  -7.869
    2    HA   VAL  75           HA       VAL  75   5.265  -8.246  -7.342
    3    HB   VAL  75           HB       VAL  75   3.322 -10.350  -6.368
    4   HG13  VAL  75          HG11      VAL  75   2.688  -8.233  -5.548
    5   HG12  VAL  75          HG12      VAL  75   1.736  -8.399  -7.023
    6   HG11  VAL  75          HG13      VAL  75   3.195  -7.409  -7.022
    7   HG23  VAL  75          HG21      VAL  75   2.198  -9.822  -8.660
    8   HG22  VAL  75          HG22      VAL  75   3.564 -10.937  -8.652
    9   HG21  VAL  75          HG23      VAL  75   3.798  -9.262  -9.146

  No H/Q in entry =           9
  In of MODEL   61
    1    H    HIS  76           H        HIS  76   5.506 -11.181  -5.158
    2    HA   HIS  76           HA       HIS  76   5.212  -9.892  -2.689
    3    HB2  HIS  76           HB2      HIS  76   5.327 -12.380  -3.047
    4    HB3  HIS  76           HB3      HIS  76   7.074 -12.212  -3.236
    5    HD1  HIS  76           HD1      HIS  76   5.172 -10.099  -0.784
    6    HD2  HIS  76           HD2      HIS  76   7.657 -13.446  -0.734
    7    HE1  HIS  76           HE1      HIS  76   5.770 -10.511   1.642

  No H/Q in entry =           7
  In of MODEL   61
    1    H    ALA  77           H        ALA  77   8.135 -10.456  -4.638
    2    HA   ALA  77           HA       ALA  77   9.903  -9.190  -2.789
    3    HB3  ALA  77           HB1      ALA  77  11.357  -9.023  -4.958
    4    HB2  ALA  77           HB2      ALA  77  10.089 -10.021  -5.668
    5    HB1  ALA  77           HB3      ALA  77  11.002 -10.612  -4.280

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLN  78           H        GLN  78   8.147  -8.073  -5.671
    2    HA   GLN  78           HA       GLN  78   9.310  -5.492  -5.764
    3    HB2  GLN  78           HB2      GLN  78   7.953  -6.680  -7.576
    4    HB3  GLN  78           HB3      GLN  78   6.517  -6.197  -6.675
    5    HG2  GLN  78           HG2      GLN  78   7.212  -3.837  -6.839
    6    HG3  GLN  78           HG3      GLN  78   8.635  -4.321  -7.759
    7   HE21  GLN  78          HE21      GLN  78   6.740  -2.566  -8.934
    8   HE22  GLN  78          HE22      GLN  78   5.929  -3.388 -10.178

  No H/Q in entry =           8
  In of MODEL   61
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   61
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.174  -7.449  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.036  -6.564   0.742
    5    HD1  HIS  80           HD1      HIS  80   9.403  -7.095   3.089
    6    HD2  HIS  80           HD2      HIS  80   6.428  -8.236   0.399
    7    HE1  HIS  80           HE1      HIS  80   7.617  -8.280   4.451
    8    HE2  HIS  80           HE2      HIS  80   5.797  -8.980   2.821

  No H/Q in entry =           8
  In of MODEL   61
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   61
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   61
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   61
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   61
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   61
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   61
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   61
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   61
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   61
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   61
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   61
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   61
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   61
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   61
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.104  -6.381 -21.733
    4    HB3  GLU   5           HB3      GLU   5   0.421  -5.149 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.482  -4.495 -21.789
    6    HG3  GLU   5           HG3      GLU   5   2.164  -5.685 -20.529

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   61
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   61
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   61
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.432 -21.000
    4    HB3  MET   9           HB3      MET   9   4.424   1.171 -20.553
    5    HG2  MET   9           HG2      MET   9   5.219  -0.954 -19.646
    6    HG3  MET   9           HG3      MET   9   3.658  -1.706 -19.974
    7    HE2  MET   9           HE1      MET   9   7.014  -0.474 -22.714
    8    HE1  MET   9           HE2      MET   9   6.573   0.138 -21.122
    9    HE3  MET   9           HE3      MET   9   5.799   0.801 -22.559

  No H/Q in entry =           9
  In of MODEL   61
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   61
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.475   1.686 -15.888
    4   HG12  ILE  12          HG12      ILE  12   2.663   0.282 -14.875
    5   HG13  ILE  12          HG13      ILE  12   4.206  -0.541 -14.962
    6   HG22  ILE  12          HG21      ILE  12   6.298   0.762 -14.474
    7   HG21  ILE  12          HG22      ILE  12   5.642   1.643 -13.094
    8   HG23  ILE  12          HG23      ILE  12   6.264   2.525 -14.487
    9   HD11  ILE  12          HD11      ILE  12   4.536   0.173 -12.533
   10   HD13  ILE  12          HD12      ILE  12   3.291  -1.030 -12.824
   11   HD12  ILE  12          HD13      ILE  12   2.847   0.651 -12.558

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.818 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.808   3.921 -17.797
    5   HG13  ILE  13          HG13      ILE  13   5.622   4.710 -19.361
    6   HG22  ILE  13          HG21      ILE  13   5.897   7.335 -19.054
    7   HG21  ILE  13          HG22      ILE  13   6.357   7.583 -17.369
    8   HG23  ILE  13          HG23      ILE  13   4.746   8.040 -17.919
    9   HD11  ILE  13          HD11      ILE  13   7.571   5.910 -17.441
   10   HD13  ILE  13          HD12      ILE  13   7.640   5.813 -19.199
   11   HD12  ILE  13          HD13      ILE  13   8.022   4.396 -18.222

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   61
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   61
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   61
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   61
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   61
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   61
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   61
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   61
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   61
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   61
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   61
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   61
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   61
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   61
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   61
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   61
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   61
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   61
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   61
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   61
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.052  -8.760
    4    HB3  HIS  52           HB3      HIS  52  -7.546   7.683  -9.496
    5    HD1  HIS  52           HD1      HIS  52  -9.705   6.057  -9.294
    6    HD2  HIS  52           HD2      HIS  52  -6.528   5.206  -6.733
    7    HE1  HIS  52           HE1      HIS  52 -10.630   4.552  -7.486
    8    HE2  HIS  52           HE2      HIS  52  -8.708   4.027  -5.909

  No H/Q in entry =           8
  In of MODEL   61
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   61
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   61
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   61
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.902   3.587 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.836   3.427  -9.478
    5   HG21  THR  56          HG21      THR  56 -13.305   1.673 -10.736
    6   HG23  THR  56          HG22      THR  56 -13.816   3.356 -10.860
    7   HG22  THR  56          HG23      THR  56 -12.939   2.805  -9.435

  No H/Q in entry =           7
  In of MODEL   61
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   61
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.662  -1.974 -10.404
    4   HG12  ILE  59          HG12      ILE  59 -10.938  -4.333  -9.015
    5   HG13  ILE  59          HG13      ILE  59  -9.337  -4.421  -9.730
    6   HG23  ILE  59          HG21      ILE  59 -11.901  -1.092 -10.307
    7   HG22  ILE  59          HG22      ILE  59 -11.504  -1.691  -8.718
    8   HG21  ILE  59          HG23      ILE  59 -12.558  -2.626  -9.766
    9   HD13  ILE  59          HD11      ILE  59  -8.849  -3.798  -7.530
   10   HD12  ILE  59          HD12      ILE  59 -10.267  -2.759  -7.414
   11   HD11  ILE  59          HD13      ILE  59  -8.873  -2.243  -8.362

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   61
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   61
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   61
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   61
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   61
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   61
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   61
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   61
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   61
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LEU  74           H        LEU  74  -3.302  -7.020 -13.387
    2    HA   LEU  74           HA       LEU  74  -3.913  -4.373 -12.788
    3    HB2  LEU  74           HB2      LEU  74  -5.578  -6.140 -12.852
    4    HB3  LEU  74           HB3      LEU  74  -4.804  -6.971 -11.509
    5    HG   LEU  74           HG       LEU  74  -5.323  -5.050 -10.039
    6   HD11  LEU  74          HD11      LEU  74  -6.455  -3.978 -12.618
    7   HD13  LEU  74          HD12      LEU  74  -5.400  -3.172 -11.459
    8   HD12  LEU  74          HD13      LEU  74  -7.099  -3.439 -11.069
    9   HD21  LEU  74          HD21      LEU  74  -6.963  -7.063 -10.717
   10   HD23  LEU  74          HD22      LEU  74  -7.926  -5.743 -11.357
   11   HD22  LEU  74          HD23      LEU  74  -7.499  -5.766  -9.651

  No H/Q in entry =          11
  In of MODEL   61
    1    H    VAL  75           H        VAL  75  -2.300  -6.806 -10.868
    2    HA   VAL  75           HA       VAL  75  -2.154  -5.307  -8.451
    3    HB   VAL  75           HB       VAL  75  -0.187  -7.430  -9.315
    4   HG13  VAL  75          HG11      VAL  75   0.503  -6.501  -7.265
    5   HG12  VAL  75          HG12      VAL  75  -0.454  -7.895  -6.763
    6   HG11  VAL  75          HG13      VAL  75  -1.154  -6.278  -6.704
    7   HG23  VAL  75          HG21      VAL  75  -1.888  -8.963  -8.068
    8   HG22  VAL  75          HG22      VAL  75  -2.268  -8.498  -9.727
    9   HG21  VAL  75          HG23      VAL  75  -3.049  -7.673  -8.379

  No H/Q in entry =           9
  In of MODEL   61
    1    H    HIS  76           H        HIS  76   0.142  -5.691 -11.277
    2    HA   HIS  76           HA       HIS  76   2.299  -4.228 -10.253
    3    HB2  HIS  76           HB2      HIS  76   2.166  -5.560 -12.447
    4    HB3  HIS  76           HB3      HIS  76   1.469  -4.098 -13.146
    5    HD1  HIS  76           HD1      HIS  76   3.306  -2.959 -14.393
    6    HD2  HIS  76           HD2      HIS  76   4.619  -4.402 -10.710
    7    HE1  HIS  76           HE1      HIS  76   5.706  -2.193 -14.138

  No H/Q in entry =           7
  In of MODEL   61
    1    H    ALA  77           H        ALA  77  -0.552  -3.127 -12.072
    2    HA   ALA  77           HA       ALA  77   0.209  -0.378 -12.088
    3    HB2  ALA  77           HB1      ALA  77  -2.363  -0.118 -12.492
    4    HB3  ALA  77           HB2      ALA  77  -2.345  -1.877 -12.603
    5    HB1  ALA  77           HB3      ALA  77  -1.379  -0.915 -13.721

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLN  78           H        GLN  78  -1.829  -2.347  -9.950
    2    HA   GLN  78           HA       GLN  78  -2.757  -0.207  -8.339
    3    HB2  GLN  78           HB2      GLN  78  -3.664  -2.596  -8.476
    4    HB3  GLN  78           HB3      GLN  78  -2.337  -3.050  -7.407
    5    HG2  GLN  78           HG2      GLN  78  -3.111  -1.387  -5.754
    6    HG3  GLN  78           HG3      GLN  78  -4.456  -0.968  -6.813
    7   HE21  GLN  78          HE21      GLN  78  -4.978  -1.989  -4.214
    8   HE22  GLN  78          HE22      GLN  78  -5.642  -3.544  -4.360

  No H/Q in entry =           8
  In of MODEL   61
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   61
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.311   0.897 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.974   2.521 -10.290
    5    HD1  HIS  80           HD1      HIS  80   5.422   2.757 -10.654
    6    HD2  HIS  80           HD2      HIS  80   4.369  -1.187  -9.813
    7    HE1  HIS  80           HE1      HIS  80   7.547   1.383 -10.875
    8    HE2  HIS  80           HE2      HIS  80   6.916  -1.026 -10.365

  No H/Q in entry =           8
  In of MODEL   61
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   61
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   61
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   61
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   61
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   61
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   61
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   61
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   61
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   61
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   61
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   61
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   61
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   61
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   61
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   61
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   61
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   61
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   61
    1    H    PHE   9           H        PHE   9 -21.278   0.630  -3.909
    2    HA   PHE   9           HA       PHE   9 -18.520   1.524  -4.543
    3    HB2  PHE   9           HB2      PHE   9 -20.336   2.434  -2.303
    4    HB3  PHE   9           HB3      PHE   9 -18.628   2.850  -2.436
    5    HD1  PHE   9           HD1      PHE   9 -21.987   3.468  -3.699
    6    HD2  PHE   9           HD2      PHE   9 -17.810   4.206  -4.366
    7    HE1  PHE   9           HE1      PHE   9 -22.563   5.319  -5.243
    8    HE2  PHE   9           HE2      PHE   9 -18.386   6.058  -5.914
    9    HZ   PHE   9           HZ       PHE   9 -20.762   6.614  -6.352

  No H/Q in entry =           9
  In of MODEL   61
    1    H    CYS  10           H        CYS  10 -16.908   0.897  -3.241
    2    HA   CYS  10           HA       CYS  10 -17.179  -0.786  -0.915
    3    HB2  CYS  10           HB2      CYS  10 -16.120  -2.739  -1.713
    4    HB3  CYS  10           HB3      CYS  10 -17.250  -2.326  -3.007

  No H/Q in entry =           4
  In of MODEL   61
    1    H    SER  11           H        SER  11 -14.460  -1.473  -0.385
    2    HA   SER  11           HA       SER  11 -13.475   1.128   0.016
    3    HB2  SER  11           HB2      SER  11 -12.568  -0.466   1.472
    4    HB3  SER  11           HB3      SER  11 -12.168  -1.572   0.175
    5    HG   SER  11           HG       SER  11 -10.939   0.875   0.867

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA  12           H        ALA  12 -12.193  -1.347  -2.334
    2    HA   ALA  12           HA       ALA  12 -10.803   0.894  -3.641
    3    HB3  ALA  12           HB1      ALA  12  -9.064  -0.520  -3.594
    4    HB2  ALA  12           HB2      ALA  12  -9.925  -1.535  -4.749
    5    HB1  ALA  12           HB3      ALA  12 -10.085  -1.838  -3.020

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLY  13           H        GLY  13 -12.891  -1.891  -4.283
    2    HA3  GLY  13           HA2      GLY  13 -14.720  -1.497  -5.887
    3    HA2  GLY  13           HA3      GLY  13 -13.527  -0.714  -6.916

  No H/Q in entry =           3
  In of MODEL   61
    1    H    MET  14           H        MET  14 -12.677  -3.682  -5.194
    2    HA   MET  14           HA       MET  14 -12.544  -4.992  -7.833
    3    HB2  MET  14           HB2      MET  14 -10.456  -4.738  -6.415
    4    HB3  MET  14           HB3      MET  14 -11.171  -5.914  -5.312
    5    HG2  MET  14           HG2      MET  14 -11.525  -7.304  -7.538
    6    HG3  MET  14           HG3      MET  14 -10.205  -6.295  -8.125
    7    HE3  MET  14           HE1      MET  14  -7.779  -7.280  -7.968
    8    HE2  MET  14           HE2      MET  14  -7.147  -7.221  -6.325
    9    HE1  MET  14           HE3      MET  14  -8.106  -5.878  -6.941

  No H/Q in entry =           9
  In of MODEL   61
    1    H    SER  15           H        SER  15 -12.845  -6.321  -4.560
    2    HA   SER  15           HA       SER  15 -14.091  -8.658  -5.203
    3    HB2  SER  15           HB2      SER  15 -13.436  -7.725  -2.876
    4    HB3  SER  15           HB3      SER  15 -15.096  -7.133  -2.827
    5    HG   SER  15           HG       SER  15 -14.826  -9.715  -3.726

  No H/Q in entry =           5
  In of MODEL   61
    1    H    THR  16           H        THR  16 -15.516  -5.478  -5.466
    2    HA   THR  16           HA       THR  16 -18.204  -6.684  -5.637
    3    HB   THR  16           HB       THR  16 -17.445  -3.768  -5.944
    4    HG1  THR  16           HG1      THR  16 -18.625  -4.240  -3.646
    5   HG22  THR  16          HG21      THR  16 -19.907  -3.623  -5.107
    6   HG21  THR  16          HG22      THR  16 -20.012  -5.308  -5.622
    7   HG23  THR  16          HG23      THR  16 -19.614  -4.050  -6.794

  No H/Q in entry =           7
  In of MODEL   61
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   61
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   61
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   61
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   61
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   61
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   61
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   61
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   61
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   61
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   61
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   61
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   61
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   61
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   61
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   61
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   61
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   61
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   61
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   61
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   61
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   61
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   61
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   61
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   61
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   61
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   61
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   61
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.052  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.795
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.616  -0.006
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.739  -0.009

  No H/Q in entry =           7
  In of MODEL   61
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   61
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   61
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   61
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   61
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   61
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   61
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   61
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   61
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   61
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   61
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   61
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   61
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   61
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   61
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   61
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   61
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   61
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   61
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   61
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   61
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   61
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   61
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   61
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   61
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   61
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   61
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   61
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   61
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   61
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   61
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   61
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   61
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   61
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   61
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   61
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   61
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   61
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   62
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   62
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.287 -14.281  -2.730
    4    HB3  GLU   5           HB3      GLU   5 -14.694 -13.930  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.575 -11.559  -2.350
    6    HG3  GLU   5           HG3      GLU   5 -13.138 -11.874  -3.322

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   62
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   62
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   62
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.709  -8.429   1.547
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.707   1.339
    5    HG2  MET   9           HG2      MET   9 -14.281  -6.798  -0.973
    6    HG3  MET   9           HG3      MET   9 -13.801  -8.484  -0.785
    7    HE2  MET   9           HE1      MET   9 -17.824  -6.526  -1.129
    8    HE1  MET   9           HE2      MET   9 -16.318  -5.900  -0.467
    9    HE3  MET   9           HE3      MET   9 -17.417  -6.799   0.567

  No H/Q in entry =           9
  In of MODEL   62
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   62
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.937  -4.409   1.275
    4   HG12  ILE  12          HG12      ILE  12  -9.183  -6.150   0.953
    5   HG13  ILE  12          HG13      ILE  12  -9.685  -5.414  -0.556
    6   HG23  ILE  12          HG21      ILE  12 -10.314  -2.955  -0.568
    7   HG22  ILE  12          HG22      ILE  12  -8.780  -2.575   0.217
    8   HG21  ILE  12          HG23      ILE  12 -10.306  -2.066   0.949
    9   HD11  ILE  12          HD11      ILE  12  -7.647  -3.899  -0.318
   10   HD13  ILE  12          HD12      ILE  12  -7.309  -5.594  -0.621
   11   HD12  ILE  12          HD13      ILE  12  -7.157  -4.944   1.006

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.604   5.238
    4   HG12  ILE  13          HG12      ILE  13 -13.489  -3.066   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.914  -3.536   3.575
    6   HG21  ILE  13          HG21      ILE  13 -13.912  -0.661   5.427
    7   HG23  ILE  13          HG22      ILE  13 -13.728  -1.833   6.733
    8   HG22  ILE  13          HG23      ILE  13 -15.158  -1.879   5.701
    9   HD13  ILE  13          HD11      ILE  13 -15.787  -1.368   3.589
   10   HD12  ILE  13          HD12      ILE  13 -14.994  -1.412   2.019
   11   HD11  ILE  13          HD13      ILE  13 -14.201  -0.628   3.383

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   62
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   62
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   62
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   62
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   62
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   62
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   62
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   62
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   62
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   62
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   62
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   62
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   62
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   62
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   62
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   62
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   62
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   62
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   62
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   62
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.948  -6.668  10.568
    4    HB3  HIS  52           HB3      HIS  52  -1.108  -7.753  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.206 -10.100  11.727
    6    HD2  HIS  52           HD2      HIS  52   1.305  -7.145   9.000
    7    HE1  HIS  52           HE1      HIS  52   2.429 -10.820  10.749
    8    HE2  HIS  52           HE2      HIS  52   3.114  -9.027   9.085

  No H/Q in entry =           8
  In of MODEL   62
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   62
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   62
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   62
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.217  10.983
    4    HG1  THR  56           HG1      THR  56   0.634 -12.294   9.849
    5   HG21  THR  56          HG21      THR  56   0.953 -15.686   9.976
    6   HG23  THR  56          HG22      THR  56   0.876 -15.192  11.666
    7   HG22  THR  56          HG23      THR  56   1.844 -14.266  10.521

  No H/Q in entry =           7
  In of MODEL   62
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   62
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.912
    4   HG12  ILE  59          HG12      ILE  59   2.408 -16.234   3.460
    5   HG13  ILE  59          HG13      ILE  59   1.138 -15.367   2.610
    6   HG21  ILE  59          HG21      ILE  59   1.118 -16.022   6.798
    7   HG23  ILE  59          HG22      ILE  59   2.387 -15.063   6.085
    8   HG22  ILE  59          HG23      ILE  59   2.286 -16.780   5.731
    9   HD13  ILE  59          HD11      ILE  59   2.984 -13.860   2.704
   10   HD12  ILE  59          HD12      ILE  59   3.270 -14.215   4.408
   11   HD11  ILE  59          HD13      ILE  59   1.843 -13.297   3.926

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   62
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   62
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   62
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   62
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   62
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   62
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   62
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   62
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LEU  74           H        LEU  74  -4.189 -13.629  -2.402
    2    HA   LEU  74           HA       LEU  74  -3.795 -12.462   0.109
    3    HB2  LEU  74           HB2      LEU  74  -2.882 -14.626  -0.576
    4    HB3  LEU  74           HB3      LEU  74  -1.846 -13.833  -1.757
    5    HG   LEU  74           HG       LEU  74  -0.697 -12.637   0.082
    6   HD12  LEU  74          HD11      LEU  74  -1.182 -13.717   2.415
    7   HD11  LEU  74          HD12      LEU  74  -2.734 -14.154   1.703
    8   HD13  LEU  74          HD13      LEU  74  -2.266 -12.458   1.826
    9   HD21  LEU  74          HD21      LEU  74  -0.191 -15.104  -0.797
   10   HD23  LEU  74          HD22      LEU  74  -0.662 -15.544   0.835
   11   HD22  LEU  74          HD23      LEU  74   0.688 -14.445   0.580

  No H/Q in entry =          11
  In of MODEL   62
    1    H    VAL  75           H        VAL  75  -2.705 -11.551  -3.042
    2    HA   VAL  75           HA       VAL  75  -0.718  -9.661  -2.229
    3    HB   VAL  75           HB       VAL  75  -2.234 -10.082  -4.814
    4   HG11  VAL  75          HG11      VAL  75  -0.086  -8.053  -4.147
    5   HG13  VAL  75          HG12      VAL  75  -1.719  -7.724  -4.724
    6   HG12  VAL  75          HG13      VAL  75  -0.544  -8.487  -5.792
    7   HG23  VAL  75          HG21      VAL  75   0.682 -10.515  -4.062
    8   HG22  VAL  75          HG22      VAL  75  -0.061 -10.912  -5.611
    9   HG21  VAL  75          HG23      VAL  75  -0.537 -11.786  -4.157

  No H/Q in entry =           9
  In of MODEL   62
    1    H    HIS  76           H        HIS  76  -4.405  -9.259  -3.365
    2    HA   HIS  76           HA       HIS  76  -4.720  -6.487  -3.184
    3    HB2  HIS  76           HB2      HIS  76  -6.467  -8.069  -4.059
    4    HB3  HIS  76           HB3      HIS  76  -6.823  -8.532  -2.400
    5    HD1  HIS  76           HD1      HIS  76  -6.039  -4.924  -2.848
    6    HD2  HIS  76           HD2      HIS  76  -9.484  -7.298  -2.884
    7    HE1  HIS  76           HE1      HIS  76  -8.020  -3.333  -2.685

  No H/Q in entry =           7
  In of MODEL   62
    1    H    ALA  77           H        ALA  77  -4.720  -8.947  -0.669
    2    HA   ALA  77           HA       ALA  77  -5.523  -7.102   1.416
    3    HB2  ALA  77           HB1      ALA  77  -6.189  -9.314   1.840
    4    HB1  ALA  77           HB2      ALA  77  -4.792  -9.095   2.893
    5    HB3  ALA  77           HB3      ALA  77  -4.620  -9.978   1.377

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLN  78           H        GLN  78  -2.470  -8.799   0.539
    2    HA   GLN  78           HA       GLN  78  -0.935  -7.710   2.624
    3    HB2  GLN  78           HB2      GLN  78  -0.344  -9.646   1.067
    4    HB3  GLN  78           HB3      GLN  78   0.132  -8.424  -0.111
    5    HG2  GLN  78           HG2      GLN  78   1.707  -7.470   1.543
    6    HG3  GLN  78           HG3      GLN  78   1.262  -8.737   2.683
    7   HE21  GLN  78          HE21      GLN  78   3.957  -8.519   1.803
    8   HE22  GLN  78          HE22      GLN  78   4.317  -9.850   0.814

  No H/Q in entry =           8
  In of MODEL   62
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   62
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.059  -4.202   1.175
    4    HB3  HIS  80           HB3      HIS  80  -5.389  -2.804   2.202
    5    HD1  HIS  80           HD1      HIS  80  -6.737  -0.977   1.179
    6    HD2  HIS  80           HD2      HIS  80  -5.018  -3.429  -1.721
    7    HE1  HIS  80           HE1      HIS  80  -7.610  -0.160  -1.062
    8    HE2  HIS  80           HE2      HIS  80  -6.568  -1.650  -2.839

  No H/Q in entry =           8
  In of MODEL   62
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   62
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   62
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   62
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   62
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   62
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   62
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   62
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   62
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   62
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   62
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   62
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   62
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   62
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   62
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.421 -20.431  -4.407
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.884  -3.477
    5    HG2  GLU   5           HG2      GLU   5  10.903 -19.846  -1.470
    6    HG3  GLU   5           HG3      GLU   5   9.487 -19.333  -2.386

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   62
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   62
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   62
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.036 -16.707   0.856
    4    HB3  MET   9           HB3      MET   9  13.731 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.345 -16.598   2.255
    6    HG3  MET   9           HG3      MET   9  11.574 -17.029   0.560
    7    HE2  MET   9           HE1      MET   9  12.603 -19.196   4.365
    8    HE1  MET   9           HE2      MET   9  12.496 -17.466   4.048
    9    HE3  MET   9           HE3      MET   9  14.007 -18.321   3.743

  No H/Q in entry =           9
  In of MODEL   62
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   62
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.954   2.305
    4   HG12  ILE  12          HG12      ILE  12  10.840 -11.542  -0.017
    5   HG13  ILE  12          HG13      ILE  12   9.639 -12.257   1.040
    6   HG22  ILE  12          HG21      ILE  12   9.519 -11.479   3.431
    7   HG21  ILE  12          HG22      ILE  12   9.741  -9.765   3.078
    8   HG23  ILE  12          HG23      ILE  12  10.872 -10.601   4.140
    9   HD11  ILE  12          HD11      ILE  12   8.791  -9.874   1.410
   10   HD13  ILE  12          HD12      ILE  12   8.530 -10.553  -0.187
   11   HD12  ILE  12          HD13      ILE  12   9.843  -9.414   0.080

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.105 -11.633   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.807 -12.614   4.664
    5   HG13  ILE  13          HG13      ILE  13  15.284 -13.529   4.942
    6   HG21  ILE  13          HG21      ILE  13  16.117 -10.532   6.654
    7   HG23  ILE  13          HG22      ILE  13  17.382 -10.434   5.429
    8   HG22  ILE  13          HG23      ILE  13  17.048 -11.969   6.232
    9   HD13  ILE  13          HD11      ILE  13  15.306 -13.055   7.227
   10   HD12  ILE  13          HD12      ILE  13  13.574 -13.146   6.916
   11   HD11  ILE  13          HD13      ILE  13  14.367 -11.576   7.029

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   62
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   62
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   62
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   62
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   62
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   62
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   62
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   62
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   62
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   62
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   62
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   62
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   62
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   62
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   62
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   62
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   62
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   62
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   62
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   62
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.319  -1.676  -5.683
    4    HB3  HIS  52           HB3      HIS  52  17.784  -1.772  -6.660
    5    HD1  HIS  52           HD1      HIS  52  17.382  -2.077  -9.312
    6    HD2  HIS  52           HD2      HIS  52  14.057  -0.884  -7.100
    7    HE1  HIS  52           HE1      HIS  52  15.699  -1.180 -10.978
    8    HE2  HIS  52           HE2      HIS  52  13.666  -0.447  -9.645

  No H/Q in entry =           8
  In of MODEL   62
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   62
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   62
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   62
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.062
    4    HG1  THR  56           HG1      THR  56  15.825  -3.650 -11.213
    5   HG21  THR  56          HG21      THR  56  16.290  -5.086 -14.270
    6   HG23  THR  56          HG22      THR  56  17.776  -4.182 -13.980
    7   HG22  THR  56          HG23      THR  56  16.217  -3.464 -13.582

  No H/Q in entry =           7
  In of MODEL   62
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   62
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.839  -7.162 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.896  -6.999 -14.835
    5   HG13  ILE  59          HG13      ILE  59   9.524  -7.868 -13.354
    6   HG21  ILE  59          HG21      ILE  59  13.404  -6.459 -14.320
    7   HG23  ILE  59          HG22      ILE  59  12.111  -5.313 -14.084
    8   HG22  ILE  59          HG23      ILE  59  12.071  -6.404 -15.460
    9   HD13  ILE  59          HD11      ILE  59   8.643  -5.675 -13.042
   10   HD12  ILE  59          HD12      ILE  59  10.113  -4.926 -13.665
   11   HD11  ILE  59          HD13      ILE  59  10.131  -5.732 -12.097

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   62
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   62
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   62
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   62
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   62
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   62
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   62
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   62
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LEU  74           H        LEU  74   6.927 -13.098  -8.615
    2    HA   LEU  74           HA       LEU  74   8.862 -11.149  -8.086
    3    HB2  LEU  74           HB2      LEU  74   8.186 -11.856 -10.329
    4    HB3  LEU  74           HB3      LEU  74   6.582 -11.176 -10.078
    5    HG   LEU  74           HG       LEU  74   7.597  -8.927  -9.839
    6   HD12  LEU  74          HD11      LEU  74  10.048  -8.851 -10.744
    7   HD11  LEU  74          HD12      LEU  74  10.109 -10.541 -10.247
    8   HD13  LEU  74          HD13      LEU  74   9.787  -9.282  -9.055
    9   HD21  LEU  74          HD21      LEU  74   6.942 -10.167 -12.106
   10   HD23  LEU  74          HD22      LEU  74   8.668 -10.063 -12.406
   11   HD22  LEU  74          HD23      LEU  74   7.736  -8.594 -12.143

  No H/Q in entry =          11
  In of MODEL   62
    1    H    VAL  75           H        VAL  75   5.405 -11.121  -7.722
    2    HA   VAL  75           HA       VAL  75   5.064  -8.352  -7.181
    3    HB   VAL  75           HB       VAL  75   3.422 -10.799  -6.500
    4   HG11  VAL  75          HG11      VAL  75   2.829  -7.882  -5.923
    5   HG13  VAL  75          HG12      VAL  75   2.990  -9.181  -4.741
    6   HG12  VAL  75          HG13      VAL  75   1.626  -9.170  -5.857
    7   HG23  VAL  75          HG21      VAL  75   2.954  -8.477  -8.411
    8   HG22  VAL  75          HG22      VAL  75   1.916  -9.890  -8.223
    9   HG21  VAL  75          HG23      VAL  75   3.540 -10.073  -8.882

  No H/Q in entry =           9
  In of MODEL   62
    1    H    HIS  76           H        HIS  76   5.548 -11.243  -4.965
    2    HA   HIS  76           HA       HIS  76   5.343  -9.903  -2.513
    3    HB2  HIS  76           HB2      HIS  76   5.662 -12.459  -3.079
    4    HB3  HIS  76           HB3      HIS  76   7.369 -12.079  -2.843
    5    HD1  HIS  76           HD1      HIS  76   7.921 -12.822  -0.521
    6    HD2  HIS  76           HD2      HIS  76   4.267 -10.818  -0.665
    7    HE1  HIS  76           HE1      HIS  76   7.123 -12.614   1.873

  No H/Q in entry =           7
  In of MODEL   62
    1    H    ALA  77           H        ALA  77   8.181 -10.463  -4.586
    2    HA   ALA  77           HA       ALA  77  10.016  -9.152  -2.846
    3    HB1  ALA  77           HB1      ALA  77  11.022 -10.595  -4.391
    4    HB3  ALA  77           HB2      ALA  77  11.384  -9.000  -5.049
    5    HB2  ALA  77           HB3      ALA  77  10.082  -9.963  -5.744

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLN  78           H        GLN  78   8.156  -8.066  -5.685
    2    HA   GLN  78           HA       GLN  78   9.286  -5.472  -5.797
    3    HB2  GLN  78           HB2      GLN  78   7.903  -6.693  -7.579
    4    HB3  GLN  78           HB3      GLN  78   6.484  -6.190  -6.662
    5    HG2  GLN  78           HG2      GLN  78   7.209  -3.834  -6.859
    6    HG3  GLN  78           HG3      GLN  78   8.594  -4.349  -7.820
    7   HE21  GLN  78          HE21      GLN  78   6.668  -2.580  -8.941
    8   HE22  GLN  78          HE22      GLN  78   5.813  -3.405 -10.153

  No H/Q in entry =           8
  In of MODEL   62
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   62
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.170  -7.451  -0.517
    4    HB3  HIS  80           HB3      HIS  80  10.038  -6.564   0.738
    5    HD1  HIS  80           HD1      HIS  80   9.412  -7.088   3.088
    6    HD2  HIS  80           HD2      HIS  80   6.428  -8.234   0.411
    7    HE1  HIS  80           HE1      HIS  80   7.629  -8.269   4.460
    8    HE2  HIS  80           HE2      HIS  80   5.804  -8.972   2.837

  No H/Q in entry =           8
  In of MODEL   62
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   62
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   62
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   62
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   62
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   62
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   62
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   62
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   62
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   62
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   62
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   62
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   62
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   62
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   62
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.105  -6.382 -21.732
    4    HB3  GLU   5           HB3      GLU   5   0.420  -5.149 -22.954
    5    HG2  GLU   5           HG2      GLU   5   2.482  -4.495 -21.793
    6    HG3  GLU   5           HG3      GLU   5   2.165  -5.681 -20.530

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   62
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   62
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   62
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.433 -21.000
    4    HB3  MET   9           HB3      MET   9   4.424   1.170 -20.553
    5    HG2  MET   9           HG2      MET   9   5.224  -0.952 -19.653
    6    HG3  MET   9           HG3      MET   9   3.660  -1.705 -19.965
    7    HE2  MET   9           HE1      MET   9   6.981  -0.447 -22.728
    8    HE1  MET   9           HE2      MET   9   6.501   0.213 -21.167
    9    HE3  MET   9           HE3      MET   9   5.726   0.796 -22.638

  No H/Q in entry =           9
  In of MODEL   62
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   62
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.469   1.682 -15.888
    4   HG12  ILE  12          HG12      ILE  12   2.666   0.277 -14.864
    5   HG13  ILE  12          HG13      ILE  12   4.212  -0.542 -14.950
    6   HG22  ILE  12          HG21      ILE  12   6.299   0.764 -14.475
    7   HG21  ILE  12          HG22      ILE  12   5.651   1.660 -13.101
    8   HG23  ILE  12          HG23      ILE  12   6.267   2.527 -14.506
    9   HD11  ILE  12          HD11      ILE  12   4.548   0.176 -12.528
   10   HD13  ILE  12          HD12      ILE  12   3.293  -1.019 -12.807
   11   HD12  ILE  12          HD13      ILE  12   2.862   0.666 -12.548

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.815 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.831   3.930 -17.784
    5   HG13  ILE  13          HG13      ILE  13   5.612   4.696 -19.354
    6   HG21  ILE  13          HG21      ILE  13   6.393   7.562 -17.413
    7   HG23  ILE  13          HG22      ILE  13   4.757   8.047 -17.858
    8   HG22  ILE  13          HG23      ILE  13   5.832   7.355 -19.072
    9   HD13  ILE  13          HD11      ILE  13   7.604   5.894 -19.195
   10   HD12  ILE  13          HD12      ILE  13   8.033   4.424 -18.323
   11   HD11  ILE  13          HD13      ILE  13   7.588   5.879 -17.433

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   62
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   62
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   62
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   62
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   62
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   62
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   62
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   62
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   62
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   62
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   62
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   62
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   62
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   62
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   62
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   62
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   62
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   62
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   62
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   62
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.074   7.041  -8.754
    4    HB3  HIS  52           HB3      HIS  52  -7.535   7.690  -9.497
    5    HD1  HIS  52           HD1      HIS  52  -9.721   6.118  -9.292
    6    HD2  HIS  52           HD2      HIS  52  -6.554   5.163  -6.756
    7    HE1  HIS  52           HE1      HIS  52 -10.672   4.610  -7.500
    8    HE2  HIS  52           HE2      HIS  52  -8.755   4.022  -5.938

  No H/Q in entry =           8
  In of MODEL   62
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   62
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   62
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   62
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.900   3.588 -12.099
    4    HG1  THR  56           HG1      THR  56 -10.579   3.337  -9.617
    5   HG21  THR  56          HG21      THR  56 -13.309   1.674 -10.744
    6   HG23  THR  56          HG22      THR  56 -13.815   3.359 -10.860
    7   HG22  THR  56          HG23      THR  56 -12.940   2.799  -9.437

  No H/Q in entry =           7
  In of MODEL   62
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   62
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.669  -1.966 -10.406
    4   HG12  ILE  59          HG12      ILE  59 -10.928  -4.298  -8.969
    5   HG13  ILE  59          HG13      ILE  59  -9.366  -4.448  -9.758
    6   HG23  ILE  59          HG21      ILE  59 -11.942  -1.130 -10.326
    7   HG22  ILE  59          HG22      ILE  59 -11.490  -1.662  -8.728
    8   HG21  ILE  59          HG23      ILE  59 -12.545  -2.660  -9.716
    9   HD13  ILE  59          HD11      ILE  59  -8.800  -3.824  -7.560
   10   HD12  ILE  59          HD12      ILE  59 -10.131  -2.674  -7.455
   11   HD11  ILE  59          HD13      ILE  59  -8.724  -2.304  -8.451

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   62
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   62
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   62
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   62
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   62
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   62
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   62
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   62
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   62
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LEU  74           H        LEU  74  -3.294  -7.028 -13.329
    2    HA   LEU  74           HA       LEU  74  -3.880  -4.377 -12.693
    3    HB2  LEU  74           HB2      LEU  74  -5.514  -6.211 -12.713
    4    HB3  LEU  74           HB3      LEU  74  -4.720  -6.951 -11.329
    5    HG   LEU  74           HG       LEU  74  -5.258  -4.951  -9.972
    6   HD12  LEU  74          HD11      LEU  74  -7.084  -3.454 -11.089
    7   HD11  LEU  74          HD12      LEU  74  -6.419  -4.058 -12.606
    8   HD13  LEU  74          HD13      LEU  74  -5.393  -3.158 -11.490
    9   HD21  LEU  74          HD21      LEU  74  -6.853  -7.031 -10.466
   10   HD23  LEU  74          HD22      LEU  74  -7.844  -5.807 -11.241
   11   HD22  LEU  74          HD23      LEU  74  -7.440  -5.653  -9.536

  No H/Q in entry =          11
  In of MODEL   62
    1    H    VAL  75           H        VAL  75  -2.145  -6.814 -10.922
    2    HA   VAL  75           HA       VAL  75  -1.881  -5.430  -8.453
    3    HB   VAL  75           HB       VAL  75  -0.270  -7.642  -9.733
    4   HG11  VAL  75          HG11      VAL  75   0.071  -6.346  -7.011
    5   HG13  VAL  75          HG12      VAL  75   1.260  -6.388  -8.313
    6   HG12  VAL  75          HG13      VAL  75   0.809  -7.877  -7.482
    7   HG23  VAL  75          HG21      VAL  75  -2.135  -7.582  -7.328
    8   HG22  VAL  75          HG22      VAL  75  -1.354  -9.014  -7.999
    9   HG21  VAL  75          HG23      VAL  75  -2.577  -8.158  -8.935

  No H/Q in entry =           9
  In of MODEL   62
    1    H    HIS  76           H        HIS  76   0.292  -5.626 -11.402
    2    HA   HIS  76           HA       HIS  76   2.417  -4.084 -10.421
    3    HB2  HIS  76           HB2      HIS  76   2.305  -5.381 -12.621
    4    HB3  HIS  76           HB3      HIS  76   1.466  -3.977 -13.281
    5    HD1  HIS  76           HD1      HIS  76   4.118  -3.464 -10.703
    6    HD2  HIS  76           HD2      HIS  76   3.764  -3.258 -14.850
    7    HE1  HIS  76           HE1      HIS  76   6.198  -2.287 -11.541

  No H/Q in entry =           7
  In of MODEL   62
    1    H    ALA  77           H        ALA  77  -0.548  -3.083 -12.107
    2    HA   ALA  77           HA       ALA  77   0.112  -0.308 -12.117
    3    HB1  ALA  77           HB1      ALA  77  -1.495  -0.927 -13.709
    4    HB2  ALA  77           HB2      ALA  77  -2.454  -0.112 -12.475
    5    HB3  ALA  77           HB3      ALA  77  -2.427  -1.873 -12.547

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLN  78           H        GLN  78  -1.846  -2.349  -9.951
    2    HA   GLN  78           HA       GLN  78  -2.775  -0.227  -8.321
    3    HB2  GLN  78           HB2      GLN  78  -3.651  -2.632  -8.466
    4    HB3  GLN  78           HB3      GLN  78  -2.321  -3.064  -7.391
    5    HG2  GLN  78           HG2      GLN  78  -3.126  -1.394  -5.752
    6    HG3  GLN  78           HG3      GLN  78  -4.482  -1.022  -6.814
    7   HE21  GLN  78          HE21      GLN  78  -4.958  -2.035  -4.196
    8   HE22  GLN  78          HE22      GLN  78  -5.589  -3.605  -4.328

  No H/Q in entry =           8
  In of MODEL   62
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   62
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.314   0.893 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.969   2.520 -10.292
    5    HD1  HIS  80           HD1      HIS  80   5.415   2.768 -10.656
    6    HD2  HIS  80           HD2      HIS  80   4.383  -1.180  -9.809
    7    HE1  HIS  80           HE1      HIS  80   7.547   1.404 -10.875
    8    HE2  HIS  80           HE2      HIS  80   6.929  -1.007 -10.361

  No H/Q in entry =           8
  In of MODEL   62
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   62
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   62
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   62
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   62
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   62
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   62
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   62
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   62
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   62
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   62
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   62
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   62
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   62
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   62
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   62
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   62
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   62
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   62
    1    H    PHE   9           H        PHE   9 -21.290   0.644  -3.913
    2    HA   PHE   9           HA       PHE   9 -18.532   1.548  -4.532
    3    HB2  PHE   9           HB2      PHE   9 -20.370   2.456  -2.309
    4    HB3  PHE   9           HB3      PHE   9 -18.663   2.880  -2.429
    5    HD1  PHE   9           HD1      PHE   9 -22.014   3.490  -3.707
    6    HD2  PHE   9           HD2      PHE   9 -17.835   4.220  -4.373
    7    HE1  PHE   9           HE1      PHE   9 -22.585   5.333  -5.263
    8    HE2  PHE   9           HE2      PHE   9 -18.407   6.064  -5.932
    9    HZ   PHE   9           HZ       PHE   9 -20.782   6.620  -6.377

  No H/Q in entry =           9
  In of MODEL   62
    1    H    CYS  10           H        CYS  10 -16.926   0.942  -3.208
    2    HA   CYS  10           HA       CYS  10 -17.196  -0.699  -0.862
    3    HB2  CYS  10           HB2      CYS  10 -16.138  -2.679  -1.628
    4    HB3  CYS  10           HB3      CYS  10 -17.327  -2.306  -2.880

  No H/Q in entry =           4
  In of MODEL   62
    1    H    SER  11           H        SER  11 -14.490  -1.420  -0.348
    2    HA   SER  11           HA       SER  11 -13.449   1.156   0.017
    3    HB2  SER  11           HB2      SER  11 -12.543  -0.455   1.457
    4    HB3  SER  11           HB3      SER  11 -12.176  -1.562   0.150
    5    HG   SER  11           HG       SER  11 -10.908   0.869   0.831

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA  12           H        ALA  12 -12.232  -1.340  -2.357
    2    HA   ALA  12           HA       ALA  12 -10.844   0.897  -3.676
    3    HB1  ALA  12           HB1      ALA  12 -10.108  -1.818  -3.021
    4    HB3  ALA  12           HB2      ALA  12  -9.092  -0.504  -3.611
    5    HB2  ALA  12           HB3      ALA  12  -9.945  -1.538  -4.755

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLY  13           H        GLY  13 -13.037  -1.792  -4.225
    2    HA3  GLY  13           HA2      GLY  13 -14.824  -1.491  -5.841
    3    HA2  GLY  13           HA3      GLY  13 -13.664  -0.674  -6.881

  No H/Q in entry =           3
  In of MODEL   62
    1    H    MET  14           H        MET  14 -12.738  -3.633  -5.184
    2    HA   MET  14           HA       MET  14 -12.584  -4.929  -7.828
    3    HB2  MET  14           HB2      MET  14 -10.487  -4.649  -6.469
    4    HB3  MET  14           HB3      MET  14 -11.172  -5.776  -5.297
    5    HG2  MET  14           HG2      MET  14 -11.550  -7.300  -7.406
    6    HG3  MET  14           HG3      MET  14 -10.301  -6.288  -8.128
    7    HE1  MET  14           HE1      MET  14  -8.370  -7.462  -8.456
    8    HE3  MET  14           HE2      MET  14  -7.221  -7.886  -7.190
    9    HE2  MET  14           HE3      MET  14  -7.771  -6.221  -7.349

  No H/Q in entry =           9
  In of MODEL   62
    1    H    SER  15           H        SER  15 -12.860  -6.275  -4.545
    2    HA   SER  15           HA       SER  15 -14.074  -8.630  -5.206
    3    HB2  SER  15           HB2      SER  15 -13.431  -7.699  -2.873
    4    HB3  SER  15           HB3      SER  15 -15.100  -7.128  -2.825
    5    HG   SER  15           HG       SER  15 -14.202  -9.557  -2.346

  No H/Q in entry =           5
  In of MODEL   62
    1    H    THR  16           H        THR  16 -15.519  -5.463  -5.466
    2    HA   THR  16           HA       THR  16 -18.199  -6.685  -5.634
    3    HB   THR  16           HB       THR  16 -17.455  -3.766  -5.944
    4    HG1  THR  16           HG1      THR  16 -18.350  -3.789  -3.709
    5   HG23  THR  16          HG21      THR  16 -19.621  -4.058  -6.797
    6   HG22  THR  16          HG22      THR  16 -19.919  -3.633  -5.110
    7   HG21  THR  16          HG23      THR  16 -20.015  -5.317  -5.626

  No H/Q in entry =           7
  In of MODEL   62
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   62
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   62
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   62
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   62
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   62
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   62
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   62
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   62
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   62
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   62
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   62
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   62
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   62
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   62
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   62
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   62
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   62
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   62
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   62
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   62
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   62
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   62
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   62
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   62
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   62
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   62
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   62
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.438   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.051  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.561  -6.669   2.790
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.794
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.696   1.162
    6    HD2  PRO  58           HD2      PRO  58 -21.018  -5.615  -0.007
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.740  -0.008

  No H/Q in entry =           7
  In of MODEL   62
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   62
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   62
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   62
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   62
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   62
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   62
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   62
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   62
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   62
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   62
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   62
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   62
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   62
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   62
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   62
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   62
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   62
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   62
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   62
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   62
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   62
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   62
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   62
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   62
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   62
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   62
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   62
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   62
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   62
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   62
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   62
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   62
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   62
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   62
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   62
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   62
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   62
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   63
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   63
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.298 -14.300  -2.715
    4    HB3  GLU   5           HB3      GLU   5 -14.704 -13.905  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.812 -12.525  -3.698
    6    HG3  GLU   5           HG3      GLU   5 -14.355 -11.482  -2.351

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   63
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   63
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   63
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.710  -8.427   1.549
    4    HB3  MET   9           HB3      MET   9 -15.029  -6.705   1.336
    5    HG2  MET   9           HG2      MET   9 -14.277  -6.805  -0.975
    6    HG3  MET   9           HG3      MET   9 -13.802  -8.492  -0.782
    7    HE2  MET   9           HE1      MET   9 -17.883  -6.587  -1.151
    8    HE1  MET   9           HE2      MET   9 -16.328  -5.868  -0.748
    9    HE3  MET   9           HE3      MET   9 -17.283  -6.640   0.508

  No H/Q in entry =           9
  In of MODEL   63
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   63
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.382   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.248  -6.174   0.969
    5   HG13  ILE  12          HG13      ILE  12  -9.700  -5.425  -0.550
    6   HG22  ILE  12          HG21      ILE  12  -8.737  -2.618   0.206
    7   HG21  ILE  12          HG22      ILE  12 -10.249  -2.040   0.910
    8   HG23  ILE  12          HG23      ILE  12 -10.265  -2.988  -0.582
    9   HD12  ILE  12          HD11      ILE  12  -7.162  -5.005   1.039
   10   HD11  ILE  12          HD12      ILE  12  -7.641  -3.973  -0.297
   11   HD13  ILE  12          HD13      ILE  12  -7.339  -5.683  -0.571

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.604   5.238
    4   HG12  ILE  13          HG12      ILE  13 -13.487  -3.058   2.663
    5   HG13  ILE  13          HG13      ILE  13 -14.908  -3.542   3.573
    6   HG22  ILE  13          HG21      ILE  13 -15.153  -1.904   5.728
    7   HG21  ILE  13          HG22      ILE  13 -13.944  -0.661   5.404
    8   HG23  ILE  13          HG23      ILE  13 -13.702  -1.805   6.726
    9   HD12  ILE  13          HD11      ILE  13 -15.099  -1.450   2.043
   10   HD11  ILE  13          HD12      ILE  13 -14.176  -0.633   3.298
   11   HD13  ILE  13          HD13      ILE  13 -15.745  -1.338   3.679

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   63
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   63
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   63
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   63
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   63
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   63
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   63
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   63
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   63
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   63
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   63
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   63
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   63
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   63
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   63
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   63
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   63
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   63
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   63
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   63
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.934  -6.674  10.551
    4    HB3  HIS  52           HB3      HIS  52  -1.120  -7.733  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.248 -10.013  11.892
    6    HD2  HIS  52           HD2      HIS  52   1.254  -7.286   8.905
    7    HE1  HIS  52           HE1      HIS  52   2.454 -10.795  10.923
    8    HE2  HIS  52           HE2      HIS  52   3.082  -9.141   9.101

  No H/Q in entry =           8
  In of MODEL   63
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   63
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   63
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   63
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.093 -14.226  10.983
    4    HG1  THR  56           HG1      THR  56   1.005 -12.531  10.724
    5   HG21  THR  56          HG21      THR  56   1.363 -15.215   9.724
    6   HG23  THR  56          HG22      THR  56   0.646 -15.653  11.273
    7   HG22  THR  56          HG23      THR  56   1.692 -14.241  11.156

  No H/Q in entry =           7
  In of MODEL   63
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   63
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.297 -14.634   4.915
    4   HG12  ILE  59          HG12      ILE  59   2.387 -16.246   3.440
    5   HG13  ILE  59          HG13      ILE  59   1.133 -15.335   2.612
    6   HG21  ILE  59          HG21      ILE  59   1.123 -16.015   6.799
    7   HG23  ILE  59          HG22      ILE  59   2.397 -15.069   6.077
    8   HG22  ILE  59          HG23      ILE  59   2.280 -16.787   5.731
    9   HD12  ILE  59          HD11      ILE  59   3.326 -14.278   4.390
   10   HD11  ILE  59          HD12      ILE  59   1.897 -13.318   4.006
   11   HD13  ILE  59          HD13      ILE  59   2.977 -13.847   2.716

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   63
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   63
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   63
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   63
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   63
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   63
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   63
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   63
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LEU  74           H        LEU  74  -4.293 -13.683  -2.346
    2    HA   LEU  74           HA       LEU  74  -3.879 -12.580   0.160
    3    HB2  LEU  74           HB2      LEU  74  -2.973 -14.722  -0.515
    4    HB3  LEU  74           HB3      LEU  74  -1.967 -13.954  -1.738
    5    HG   LEU  74           HG       LEU  74  -0.717 -12.781   0.033
    6   HD12  LEU  74          HD11      LEU  74  -1.153 -13.744   2.410
    7   HD11  LEU  74          HD12      LEU  74  -2.731 -14.202   1.771
    8   HD13  LEU  74          HD13      LEU  74  -2.252 -12.505   1.807
    9   HD21  LEU  74          HD21      LEU  74  -0.345 -15.300  -0.787
   10   HD23  LEU  74          HD22      LEU  74  -0.748 -15.657   0.883
   11   HD22  LEU  74          HD23      LEU  74   0.624 -14.619   0.517

  No H/Q in entry =          11
  In of MODEL   63
    1    H    VAL  75           H        VAL  75  -2.646 -11.582  -2.937
    2    HA   VAL  75           HA       VAL  75  -0.700  -9.750  -1.891
    3    HB   VAL  75           HB       VAL  75  -1.980  -9.879  -4.640
    4   HG11  VAL  75          HG11      VAL  75   0.189  -8.229  -3.428
    5   HG13  VAL  75          HG12      VAL  75  -0.965  -7.813  -4.695
    6   HG12  VAL  75          HG13      VAL  75   0.438  -8.810  -5.074
    7   HG21  VAL  75          HG21      VAL  75  -0.794 -11.975  -3.951
    8   HG23  VAL  75          HG22      VAL  75   0.661 -11.024  -3.657
    9   HG22  VAL  75          HG23      VAL  75   0.009 -11.153  -5.289

  No H/Q in entry =           9
  In of MODEL   63
    1    H    HIS  76           H        HIS  76  -4.295  -9.343  -3.260
    2    HA   HIS  76           HA       HIS  76  -4.637  -6.576  -3.155
    3    HB2  HIS  76           HB2      HIS  76  -6.355  -8.152  -4.051
    4    HB3  HIS  76           HB3      HIS  76  -6.732  -8.643  -2.405
    5    HD1  HIS  76           HD1      HIS  76  -6.008  -5.020  -2.740
    6    HD2  HIS  76           HD2      HIS  76  -9.408  -7.448  -2.976
    7    HE1  HIS  76           HE1      HIS  76  -8.022  -3.467  -2.609

  No H/Q in entry =           7
  In of MODEL   63
    1    H    ALA  77           H        ALA  77  -4.696  -8.957  -0.593
    2    HA   ALA  77           HA       ALA  77  -5.525  -7.056   1.438
    3    HB2  ALA  77           HB1      ALA  77  -4.795  -9.050   2.956
    4    HB1  ALA  77           HB2      ALA  77  -4.713  -9.948   1.441
    5    HB3  ALA  77           HB3      ALA  77  -6.237  -9.223   1.952

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLN  78           H        GLN  78  -2.495  -8.763   0.557
    2    HA   GLN  78           HA       GLN  78  -0.934  -7.690   2.645
    3    HB2  GLN  78           HB2      GLN  78  -0.371  -9.642   1.099
    4    HB3  GLN  78           HB3      GLN  78   0.099  -8.434  -0.096
    5    HG2  GLN  78           HG2      GLN  78   1.699  -7.475   1.530
    6    HG3  GLN  78           HG3      GLN  78   1.259  -8.726   2.689
    7   HE21  GLN  78          HE21      GLN  78   3.944  -8.549   1.791
    8   HE22  GLN  78          HE22      GLN  78   4.283  -9.888   0.806

  No H/Q in entry =           8
  In of MODEL   63
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   63
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.202   1.178
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.801   2.200
    5    HD1  HIS  80           HD1      HIS  80  -6.686  -0.936   1.164
    6    HD2  HIS  80           HD2      HIS  80  -5.066  -3.481  -1.714
    7    HE1  HIS  80           HE1      HIS  80  -7.569  -0.138  -1.079
    8    HE2  HIS  80           HE2      HIS  80  -6.588  -1.684  -2.843

  No H/Q in entry =           8
  In of MODEL   63
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   63
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   63
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   63
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   63
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   63
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   63
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   63
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   63
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   63
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   63
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   63
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   63
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   63
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   63
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.444 -20.443  -4.421
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.879  -3.449
    5    HG2  GLU   5           HG2      GLU   5   9.923 -21.081  -2.025
    6    HG3  GLU   5           HG3      GLU   5  10.794 -19.633  -1.522

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   63
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   63
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   63
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.037 -16.706   0.857
    4    HB3  MET   9           HB3      MET   9  13.729 -16.163   2.507
    5    HG2  MET   9           HG2      MET   9  11.343 -16.596   2.248
    6    HG3  MET   9           HG3      MET   9  11.579 -17.033   0.555
    7    HE2  MET   9           HE1      MET   9  12.645 -19.280   4.348
    8    HE1  MET   9           HE2      MET   9  12.236 -17.581   4.118
    9    HE3  MET   9           HE3      MET   9  13.879 -18.136   3.806

  No H/Q in entry =           9
  In of MODEL   63
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   63
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.952   2.311
    4   HG12  ILE  12          HG12      ILE  12  10.850 -11.577  -0.010
    5   HG13  ILE  12          HG13      ILE  12   9.625 -12.246   1.049
    6   HG21  ILE  12          HG21      ILE  12   9.716  -9.776   3.050
    7   HG23  ILE  12          HG22      ILE  12  10.857 -10.570   4.136
    8   HG22  ILE  12          HG23      ILE  12   9.524 -11.485   3.433
    9   HD12  ILE  12          HD11      ILE  12   9.878  -9.411   0.048
   10   HD11  ILE  12          HD12      ILE  12   8.825  -9.852   1.380
   11   HD13  ILE  12          HD13      ILE  12   8.566 -10.549  -0.213

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.106 -11.632   3.846
    4   HG12  ILE  13          HG12      ILE  13  13.804 -12.609   4.668
    5   HG13  ILE  13          HG13      ILE  13  15.280 -13.529   4.933
    6   HG22  ILE  13          HG21      ILE  13  17.071 -11.966   6.210
    7   HG21  ILE  13          HG22      ILE  13  16.111 -10.561   6.669
    8   HG23  ILE  13          HG23      ILE  13  17.364 -10.408   5.438
    9   HD12  ILE  13          HD11      ILE  13  13.640 -13.233   6.935
   10   HD11  ILE  13          HD12      ILE  13  14.285 -11.595   7.020
   11   HD13  ILE  13          HD13      ILE  13  15.361 -12.977   7.222

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   63
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   63
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   63
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   63
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   63
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   63
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   63
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   63
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   63
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   63
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   63
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   63
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   63
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   63
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   63
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   63
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   63
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   63
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   63
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   63
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.298  -1.676  -5.694
    4    HB3  HIS  52           HB3      HIS  52  17.786  -1.771  -6.636
    5    HD1  HIS  52           HD1      HIS  52  17.504  -1.929  -9.277
    6    HD2  HIS  52           HD2      HIS  52  14.011  -1.035  -7.184
    7    HE1  HIS  52           HE1      HIS  52  15.844  -1.074 -10.987
    8    HE2  HIS  52           HE2      HIS  52  13.709  -0.523  -9.727

  No H/Q in entry =           8
  In of MODEL   63
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   63
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   63
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   63
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.457 -12.071
    4    HG1  THR  56           HG1      THR  56  16.496  -3.125 -11.694
    5   HG21  THR  56          HG21      THR  56  15.829  -4.643 -14.057
    6   HG23  THR  56          HG22      THR  56  17.581  -4.757 -14.213
    7   HG22  THR  56          HG23      THR  56  16.849  -3.300 -13.547

  No H/Q in entry =           7
  In of MODEL   63
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   63
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.839  -7.162 -12.527
    4   HG12  ILE  59          HG12      ILE  59   9.891  -7.025 -14.836
    5   HG13  ILE  59          HG13      ILE  59   9.523  -7.855 -13.331
    6   HG21  ILE  59          HG21      ILE  59  13.404  -6.453 -14.312
    7   HG23  ILE  59          HG22      ILE  59  12.102  -5.313 -14.091
    8   HG22  ILE  59          HG23      ILE  59  12.079  -6.411 -15.461
    9   HD12  ILE  59          HD11      ILE  59  10.081  -4.923 -13.741
   10   HD11  ILE  59          HD12      ILE  59  10.178  -5.673 -12.148
   11   HD13  ILE  59          HD13      ILE  59   8.651  -5.671 -13.030

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   63
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   63
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   63
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   63
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   63
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   63
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   63
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   63
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LEU  74           H        LEU  74   7.008 -13.168  -8.615
    2    HA   LEU  74           HA       LEU  74   8.958 -11.250  -8.144
    3    HB2  LEU  74           HB2      LEU  74   8.306 -11.946 -10.369
    4    HB3  LEU  74           HB3      LEU  74   6.677 -11.324 -10.130
    5    HG   LEU  74           HG       LEU  74   7.592  -9.035  -9.946
    6   HD12  LEU  74          HD11      LEU  74  10.044  -8.846 -10.792
    7   HD11  LEU  74          HD12      LEU  74  10.185 -10.534 -10.308
    8   HD13  LEU  74          HD13      LEU  74   9.785  -9.304  -9.110
    9   HD21  LEU  74          HD21      LEU  74   7.048 -10.379 -12.196
   10   HD23  LEU  74          HD22      LEU  74   8.766 -10.155 -12.469
   11   HD22  LEU  74          HD23      LEU  74   7.725  -8.754 -12.251

  No H/Q in entry =          11
  In of MODEL   63
    1    H    VAL  75           H        VAL  75   5.485 -11.029  -7.848
    2    HA   VAL  75           HA       VAL  75   5.371  -8.230  -7.312
    3    HB   VAL  75           HB       VAL  75   3.437 -10.445  -6.562
    4   HG11  VAL  75          HG11      VAL  75   3.372  -7.465  -6.298
    5   HG13  VAL  75          HG12      VAL  75   2.711  -8.698  -5.226
    6   HG12  VAL  75          HG13      VAL  75   1.877  -8.296  -6.726
    7   HG21  VAL  75          HG21      VAL  75   3.863 -10.216  -9.012
    8   HG23  VAL  75          HG22      VAL  75   3.424  -8.512  -8.911
    9   HG22  VAL  75          HG23      VAL  75   2.218  -9.752  -8.579

  No H/Q in entry =           9
  In of MODEL   63
    1    H    HIS  76           H        HIS  76   5.546 -11.184  -5.145
    2    HA   HIS  76           HA       HIS  76   5.276  -9.937  -2.665
    3    HB2  HIS  76           HB2      HIS  76   5.555 -12.464  -3.267
    4    HB3  HIS  76           HB3      HIS  76   7.276 -12.143  -3.043
    5    HD1  HIS  76           HD1      HIS  76   7.994 -12.629  -0.717
    6    HD2  HIS  76           HD2      HIS  76   4.081 -11.194  -0.822
    7    HE1  HIS  76           HE1      HIS  76   7.192 -12.558   1.684

  No H/Q in entry =           7
  In of MODEL   63
    1    H    ALA  77           H        ALA  77   8.196 -10.439  -4.627
    2    HA   ALA  77           HA       ALA  77   9.951  -9.155  -2.771
    3    HB3  ALA  77           HB1      ALA  77  11.391  -8.965  -4.958
    4    HB2  ALA  77           HB2      ALA  77  10.147 -10.013  -5.638
    5    HB1  ALA  77           HB3      ALA  77  11.088 -10.552  -4.248

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLN  78           H        GLN  78   8.187  -8.072  -5.662
    2    HA   GLN  78           HA       GLN  78   9.310  -5.476  -5.766
    3    HB2  GLN  78           HB2      GLN  78   7.960  -6.691  -7.567
    4    HB3  GLN  78           HB3      GLN  78   6.522  -6.220  -6.662
    5    HG2  GLN  78           HG2      GLN  78   7.201  -3.851  -6.835
    6    HG3  GLN  78           HG3      GLN  78   8.611  -4.331  -7.778
    7   HE21  GLN  78          HE21      GLN  78   6.692  -2.592  -8.932
    8   HE22  GLN  78          HE22      GLN  78   5.861  -3.425 -10.156

  No H/Q in entry =           8
  In of MODEL   63
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   63
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.172  -7.450  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.037  -6.564   0.739
    5    HD1  HIS  80           HD1      HIS  80   9.383  -7.045   3.096
    6    HD2  HIS  80           HD2      HIS  80   6.454  -8.280   0.399
    7    HE1  HIS  80           HE1      HIS  80   7.605  -8.239   4.462
    8    HE2  HIS  80           HE2      HIS  80   5.813  -8.996   2.827

  No H/Q in entry =           8
  In of MODEL   63
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   63
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   63
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   63
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   63
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   63
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   63
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   63
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   63
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   63
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   63
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   63
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   63
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   63
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   63
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.087  -6.377 -21.752
    4    HB3  GLU   5           HB3      GLU   5   0.444  -5.135 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.547  -6.095 -22.277
    6    HG3  GLU   5           HG3      GLU   5   2.451  -4.489 -21.559

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   63
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   63
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   63
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.885   0.434 -21.000
    4    HB3  MET   9           HB3      MET   9   4.425   1.170 -20.552
    5    HG2  MET   9           HG2      MET   9   5.219  -0.955 -19.648
    6    HG3  MET   9           HG3      MET   9   3.656  -1.706 -19.972
    7    HE2  MET   9           HE1      MET   9   6.968  -0.464 -22.808
    8    HE1  MET   9           HE2      MET   9   6.684  -0.005 -21.131
    9    HE3  MET   9           HE3      MET   9   5.815   0.820 -22.423

  No H/Q in entry =           9
  In of MODEL   63
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   63
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.478   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.666   0.278 -14.895
    5   HG13  ILE  12          HG13      ILE  12   4.212  -0.542 -14.953
    6   HG21  ILE  12          HG21      ILE  12   5.632   1.621 -13.090
    7   HG23  ILE  12          HG22      ILE  12   6.264   2.527 -14.464
    8   HG22  ILE  12          HG23      ILE  12   6.299   0.765 -14.479
    9   HD12  ILE  12          HD11      ILE  12   2.824   0.652 -12.556
   10   HD11  ILE  12          HD12      ILE  12   4.519   0.196 -12.535
   11   HD13  ILE  12          HD13      ILE  12   3.284  -1.020 -12.834

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.020   5.814 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.841   3.933 -17.777
    5   HG13  ILE  13          HG13      ILE  13   5.606   4.688 -19.351
    6   HG22  ILE  13          HG21      ILE  13   5.804   7.364 -19.079
    7   HG21  ILE  13          HG22      ILE  13   6.410   7.550 -17.433
    8   HG23  ILE  13          HG23      ILE  13   4.766   8.051 -17.829
    9   HD12  ILE  13          HD11      ILE  13   8.039   4.447 -18.451
   10   HD11  ILE  13          HD12      ILE  13   7.619   5.800 -17.403
   11   HD13  ILE  13          HD13      ILE  13   7.559   5.990 -19.154

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   63
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   63
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   63
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   63
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   63
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   63
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   63
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   63
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   63
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   63
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   63
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   63
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   63
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   63
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   63
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   63
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   63
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   63
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   63
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   63
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.075   7.020  -8.741
    4    HB3  HIS  52           HB3      HIS  52  -7.513   7.702  -9.499
    5    HD1  HIS  52           HD1      HIS  52  -9.760   6.306  -9.232
    6    HD2  HIS  52           HD2      HIS  52  -6.591   5.011  -6.855
    7    HE1  HIS  52           HE1      HIS  52 -10.758   4.776  -7.486
    8    HE2  HIS  52           HE2      HIS  52  -8.840   3.981  -6.020

  No H/Q in entry =           8
  In of MODEL   63
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   63
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   63
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   63
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.927   3.571 -12.102
    4    HG1  THR  56           HG1      THR  56 -11.349   3.932  -9.478
    5   HG21  THR  56          HG21      THR  56 -13.038   1.642 -10.233
    6   HG23  THR  56          HG22      THR  56 -13.856   2.935 -11.109
    7   HG22  THR  56          HG23      THR  56 -13.098   3.268  -9.553

  No H/Q in entry =           7
  In of MODEL   63
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   63
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.663  -1.973 -10.404
    4   HG12  ILE  59          HG12      ILE  59 -10.941  -4.317  -8.997
    5   HG13  ILE  59          HG13      ILE  59  -9.354  -4.435  -9.739
    6   HG23  ILE  59          HG21      ILE  59 -11.909  -1.099 -10.314
    7   HG22  ILE  59          HG22      ILE  59 -11.500  -1.682  -8.721
    8   HG21  ILE  59          HG23      ILE  59 -12.555  -2.631  -9.755
    9   HD12  ILE  59          HD11      ILE  59 -10.216  -2.728  -7.425
   10   HD11  ILE  59          HD12      ILE  59  -8.819  -2.268  -8.396
   11   HD13  ILE  59          HD13      ILE  59  -8.830  -3.811  -7.543

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   63
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   63
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   63
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   63
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   63
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   63
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   63
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   63
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   63
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LEU  74           H        LEU  74  -3.314  -7.010 -13.426
    2    HA   LEU  74           HA       LEU  74  -3.951  -4.380 -12.836
    3    HB2  LEU  74           HB2      LEU  74  -5.594  -6.164 -12.866
    4    HB3  LEU  74           HB3      LEU  74  -4.799  -6.975 -11.522
    5    HG   LEU  74           HG       LEU  74  -5.335  -5.056 -10.060
    6   HD12  LEU  74          HD11      LEU  74  -7.123  -3.465 -11.078
    7   HD11  LEU  74          HD12      LEU  74  -6.499  -4.005 -12.637
    8   HD13  LEU  74          HD13      LEU  74  -5.433  -3.186 -11.496
    9   HD21  LEU  74          HD21      LEU  74  -6.954  -7.087 -10.705
   10   HD23  LEU  74          HD22      LEU  74  -7.931  -5.792 -11.376
   11   HD22  LEU  74          HD23      LEU  74  -7.513  -5.777  -9.667

  No H/Q in entry =          11
  In of MODEL   63
    1    H    VAL  75           H        VAL  75  -2.306  -6.759 -10.883
    2    HA   VAL  75           HA       VAL  75  -2.163  -5.203  -8.498
    3    HB   VAL  75           HB       VAL  75  -0.384  -7.469  -9.434
    4   HG11  VAL  75          HG11      VAL  75  -0.586  -5.890  -6.897
    5   HG13  VAL  75          HG12      VAL  75   0.843  -6.546  -7.694
    6   HG12  VAL  75          HG13      VAL  75  -0.227  -7.613  -6.785
    7   HG21  VAL  75          HG21      VAL  75  -2.813  -8.050  -9.237
    8   HG23  VAL  75          HG22      VAL  75  -2.788  -7.479  -7.568
    9   HG22  VAL  75          HG23      VAL  75  -1.824  -8.878  -8.035

  No H/Q in entry =           9
  In of MODEL   63
    1    H    HIS  76           H        HIS  76   0.120  -5.654 -11.323
    2    HA   HIS  76           HA       HIS  76   2.300  -4.202 -10.359
    3    HB2  HIS  76           HB2      HIS  76   2.094  -5.519 -12.558
    4    HB3  HIS  76           HB3      HIS  76   1.400  -4.043 -13.230
    5    HD1  HIS  76           HD1      HIS  76   3.228  -2.935 -14.521
    6    HD2  HIS  76           HD2      HIS  76   4.599  -4.393 -10.865
    7    HE1  HIS  76           HE1      HIS  76   5.642  -2.200 -14.318

  No H/Q in entry =           7
  In of MODEL   63
    1    H    ALA  77           H        ALA  77  -0.585  -3.064 -12.094
    2    HA   ALA  77           HA       ALA  77   0.200  -0.314 -12.085
    3    HB2  ALA  77           HB1      ALA  77  -2.387  -0.051 -12.454
    4    HB3  ALA  77           HB2      ALA  77  -2.348  -1.804 -12.632
    5    HB1  ALA  77           HB3      ALA  77  -1.399  -0.788 -13.716

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLN  78           H        GLN  78  -1.836  -2.315  -9.972
    2    HA   GLN  78           HA       GLN  78  -2.762  -0.202  -8.330
    3    HB2  GLN  78           HB2      GLN  78  -3.658  -2.592  -8.493
    4    HB3  GLN  78           HB3      GLN  78  -2.326  -3.053  -7.433
    5    HG2  GLN  78           HG2      GLN  78  -3.104  -1.404  -5.762
    6    HG3  GLN  78           HG3      GLN  78  -4.461  -0.997  -6.810
    7   HE21  GLN  78          HE21      GLN  78  -4.957  -2.040  -4.217
    8   HE22  GLN  78          HE22      GLN  78  -5.600  -3.603  -4.369

  No H/Q in entry =           8
  In of MODEL   63
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   63
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.313   0.894 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.971   2.520 -10.291
    5    HD1  HIS  80           HD1      HIS  80   5.430   2.771 -10.599
    6    HD2  HIS  80           HD2      HIS  80   4.365  -1.191  -9.866
    7    HE1  HIS  80           HE1      HIS  80   7.556   1.400 -10.833
    8    HE2  HIS  80           HE2      HIS  80   6.917  -1.020 -10.389

  No H/Q in entry =           8
  In of MODEL   63
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   63
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   63
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   63
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   63
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   63
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   63
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   63
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   63
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   63
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   63
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   63
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   63
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   63
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   63
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   63
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   63
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   63
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   63
    1    H    PHE   9           H        PHE   9 -21.286   0.630  -3.909
    2    HA   PHE   9           HA       PHE   9 -18.525   1.520  -4.538
    3    HB2  PHE   9           HB2      PHE   9 -20.345   2.439  -2.305
    4    HB3  PHE   9           HB3      PHE   9 -18.636   2.852  -2.435
    5    HD1  PHE   9           HD1      PHE   9 -21.990   3.485  -3.691
    6    HD2  PHE   9           HD2      PHE   9 -17.812   4.188  -4.383
    7    HE1  PHE   9           HE1      PHE   9 -22.559   5.334  -5.241
    8    HE2  PHE   9           HE2      PHE   9 -18.380   6.036  -5.937
    9    HZ   PHE   9           HZ       PHE   9 -20.755   6.609  -6.366

  No H/Q in entry =           9
  In of MODEL   63
    1    H    CYS  10           H        CYS  10 -16.925   0.904  -3.225
    2    HA   CYS  10           HA       CYS  10 -17.195  -0.767  -0.893
    3    HB2  CYS  10           HB2      CYS  10 -16.135  -2.726  -1.678
    4    HB3  CYS  10           HB3      CYS  10 -17.273  -2.325  -2.969

  No H/Q in entry =           4
  In of MODEL   63
    1    H    SER  11           H        SER  11 -14.487  -1.455  -0.358
    2    HA   SER  11           HA       SER  11 -13.477   1.136   0.031
    3    HB2  SER  11           HB2      SER  11 -12.575  -0.469   1.481
    4    HB3  SER  11           HB3      SER  11 -12.184  -1.572   0.179
    5    HG   SER  11           HG       SER  11 -10.951   0.880   0.854

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA  12           H        ALA  12 -12.214  -1.352  -2.330
    2    HA   ALA  12           HA       ALA  12 -10.833   0.891  -3.642
    3    HB2  ALA  12           HB1      ALA  12  -9.963  -1.537  -4.755
    4    HB1  ALA  12           HB2      ALA  12 -10.108  -1.839  -3.024
    5    HB3  ALA  12           HB3      ALA  12  -9.090  -0.523  -3.607

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLY  13           H        GLY  13 -12.936  -1.886  -4.270
    2    HA3  GLY  13           HA2      GLY  13 -14.760  -1.507  -5.880
    3    HA2  GLY  13           HA3      GLY  13 -13.570  -0.714  -6.906

  No H/Q in entry =           3
  In of MODEL   63
    1    H    MET  14           H        MET  14 -12.710  -3.684  -5.188
    2    HA   MET  14           HA       MET  14 -12.558  -4.983  -7.831
    3    HB2  MET  14           HB2      MET  14 -10.467  -4.717  -6.447
    4    HB3  MET  14           HB3      MET  14 -11.167  -5.860  -5.301
    5    HG2  MET  14           HG2      MET  14 -11.353  -7.551  -7.073
    6    HG3  MET  14           HG3      MET  14 -10.705  -6.410  -8.249
    7    HE1  MET  14           HE1      MET  14  -9.611  -8.917  -8.296
    8    HE3  MET  14           HE2      MET  14  -7.918  -9.038  -7.826
    9    HE2  MET  14           HE3      MET  14  -8.418  -7.810  -8.985

  No H/Q in entry =           9
  In of MODEL   63
    1    H    SER  15           H        SER  15 -12.863  -6.302  -4.555
    2    HA   SER  15           HA       SER  15 -14.095  -8.653  -5.189
    3    HB2  SER  15           HB2      SER  15 -15.123  -7.130  -2.825
    4    HB3  SER  15           HB3      SER  15 -14.760  -8.850  -2.977
    5    HG   SER  15           HG       SER  15 -13.118  -6.723  -2.389

  No H/Q in entry =           5
  In of MODEL   63
    1    H    THR  16           H        THR  16 -15.525  -5.477  -5.455
    2    HA   THR  16           HA       THR  16 -18.210  -6.686  -5.637
    3    HB   THR  16           HB       THR  16 -17.454  -3.770  -5.945
    4    HG1  THR  16           HG1      THR  16 -17.109  -3.863  -3.890
    5   HG22  THR  16          HG21      THR  16 -19.916  -3.627  -5.112
    6   HG21  THR  16          HG22      THR  16 -20.018  -5.312  -5.625
    7   HG23  THR  16          HG23      THR  16 -19.621  -4.056  -6.797

  No H/Q in entry =           7
  In of MODEL   63
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   63
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   63
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   63
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   63
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   63
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   63
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   63
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   63
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   63
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   63
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   63
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   63
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   63
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   63
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   63
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   63
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   63
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   63
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   63
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   63
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   63
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   63
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   63
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   63
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   63
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   63
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   63
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.435   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.062  -6.860   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.569  -6.664   2.784
    4    HG2  PRO  58           HG2      PRO  58 -20.797  -7.079   1.799
    5    HG3  PRO  58           HG3      PRO  58 -22.331  -7.697   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.011  -5.619   0.000
    7    HD3  PRO  58           HD3      PRO  58 -22.786  -5.737  -0.014

  No H/Q in entry =           7
  In of MODEL   63
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   63
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   63
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   63
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   63
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   63
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   63
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   63
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   63
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   63
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   63
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   63
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   63
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   63
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   63
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   63
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   63
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   63
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   63
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   63
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   63
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   63
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   63
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   63
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   63
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   63
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   63
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   63
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   63
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   63
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   63
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   63
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   63
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   63
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   63
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   63
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   63
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   63
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5
  In of MODEL   64
    1    H1   ALA   1           H3       ALA   1 -12.230 -15.784  -2.353
    2    H2   ALA   1           H2       ALA   1 -11.289 -16.925  -3.195
    3    H3   ALA   1           H1       ALA   1 -12.435 -15.983  -4.027
    4    HA   ALA   1           HA       ALA   1 -13.831 -17.685  -3.784
    5    HB3  ALA   1           HB1      ALA   1 -12.432 -19.455  -3.324
    6    HB1  ALA   1           HB2      ALA   1 -13.185 -19.343  -1.734
    7    HB2  ALA   1           HB3      ALA   1 -11.611 -18.600  -2.018

  No H/Q in entry =           7
  In of MODEL   64
    1    H    GLU   2           H        GLU   2 -15.450 -18.541  -2.127
    2    HA   GLU   2           HA       GLU   2 -17.099 -16.823  -1.066
    3    HB2  GLU   2           HB2      GLU   2 -16.153 -19.247   0.478
    4    HB3  GLU   2           HB3      GLU   2 -17.678 -18.399   0.735
    5    HG2  GLU   2           HG2      GLU   2 -18.659 -19.487  -0.998
    6    HG3  GLU   2           HG3      GLU   2 -17.339 -19.085  -2.085

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLU   3           H        GLU   3 -15.180 -18.173   1.554
    2    HA   GLU   3           HA       GLU   3 -15.402 -15.819   3.111
    3    HB2  GLU   3           HB2      GLU   3 -13.813 -18.363   3.360
    4    HB3  GLU   3           HB3      GLU   3 -13.581 -17.043   4.506
    5    HG2  GLU   3           HG2      GLU   3 -15.773 -17.197   5.328
    6    HG3  GLU   3           HG3      GLU   3 -16.369 -17.998   3.881

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LEU   4           H        LEU   4 -12.448 -17.294   1.716
    2    HA   LEU   4           HA       LEU   4 -10.615 -15.388   2.310
    3    HB2  LEU   4           HB2      LEU   4 -10.848 -16.687  -0.414
    4    HB3  LEU   4           HB3      LEU   4  -9.396 -15.964   0.269
    5    HG   LEU   4           HG       LEU   4 -10.885 -18.363   1.385
    6   HD13  LEU   4          HD11      LEU   4  -9.252 -19.717   0.453
    7   HD12  LEU   4          HD12      LEU   4  -8.044 -18.432   0.424
    8   HD11  LEU   4          HD13      LEU   4  -9.335 -18.456  -0.777
    9   HD23  LEU   4          HD21      LEU   4  -8.632 -18.423   2.763
   10   HD22  LEU   4          HD22      LEU   4  -9.953 -17.385   3.293
   11   HD21  LEU   4          HD23      LEU   4  -8.593 -16.695   2.409

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLU   5           H        GLU   5 -12.954 -15.185  -0.360
    2    HA   GLU   5           HA       GLU   5 -11.956 -12.701  -1.363
    3    HB2  GLU   5           HB2      GLU   5 -13.299 -14.303  -2.713
    4    HB3  GLU   5           HB3      GLU   5 -14.706 -13.902  -1.726
    5    HG2  GLU   5           HG2      GLU   5 -14.809 -12.525  -3.700
    6    HG3  GLU   5           HG3      GLU   5 -14.349 -11.481  -2.355

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLU   6           H        GLU   6 -14.676 -13.582   0.734
    2    HA   GLU   6           HA       GLU   6 -15.584 -10.906   1.133
    3    HB2  GLU   6           HB2      GLU   6 -16.772 -13.211   1.558
    4    HB3  GLU   6           HB3      GLU   6 -16.015 -13.089   3.145
    5    HG2  GLU   6           HG2      GLU   6 -17.152 -11.058   3.647
    6    HG3  GLU   6           HG3      GLU   6 -17.641 -10.822   1.969

  No H/Q in entry =           6
  In of MODEL   64
    1    H    VAL   7           H        VAL   7 -13.271 -13.013   2.702
    2    HA   VAL   7           HA       VAL   7 -12.803 -11.437   5.028
    3    HB   VAL   7           HB       VAL   7 -11.100 -13.479   3.577
    4   HG11  VAL   7          HG11      VAL   7 -10.629 -11.944   6.139
    5   HG13  VAL   7          HG12      VAL   7  -9.531 -12.158   4.777
    6   HG12  VAL   7          HG13      VAL   7  -9.881 -13.515   5.848
    7   HG21  VAL   7          HG21      VAL   7 -13.348 -14.045   4.800
    8   HG23  VAL   7          HG22      VAL   7 -12.419 -13.770   6.274
    9   HG22  VAL   7          HG23      VAL   7 -11.926 -15.029   5.144

  No H/Q in entry =           9
  In of MODEL   64
    1    H    VAL   8           H        VAL   8 -11.297 -11.551   1.816
    2    HA   VAL   8           HA       VAL   8  -9.235  -9.675   2.305
    3    HB   VAL   8           HB       VAL   8 -10.711 -10.438  -0.224
    4   HG12  VAL   8          HG11      VAL   8  -8.304  -9.346  -1.033
    5   HG11  VAL   8          HG12      VAL   8  -8.772  -8.267   0.279
    6   HG13  VAL   8          HG13      VAL   8  -9.857  -8.514  -1.088
    7   HG23  VAL   8          HG21      VAL   8  -7.860 -11.092  -0.006
    8   HG22  VAL   8          HG22      VAL   8  -9.224 -12.149  -0.361
    9   HG21  VAL   8          HG23      VAL   8  -8.794 -11.801   1.311

  No H/Q in entry =           9
  In of MODEL   64
    1    H    MET   9           H        MET   9 -12.583  -9.290   1.149
    2    HA   MET   9           HA       MET   9 -12.524  -6.513   0.714
    3    HB2  MET   9           HB2      MET   9 -14.707  -8.431   1.543
    4    HB3  MET   9           HB3      MET   9 -15.030  -6.709   1.343
    5    HG2  MET   9           HG2      MET   9 -14.293  -6.786  -0.969
    6    HG3  MET   9           HG3      MET   9 -13.795  -8.468  -0.792
    7    HE1  MET   9           HE1      MET   9 -16.336  -5.890  -0.570
    8    HE3  MET   9           HE2      MET   9 -17.381  -6.763   0.545
    9    HE2  MET   9           HE3      MET   9 -17.862  -6.576  -1.134

  No H/Q in entry =           9
  In of MODEL   64
    1    H    GLY  10           H        GLY  10 -13.180  -8.404   3.643
    2    HA3  GLY  10           HA2      GLY  10 -13.729  -6.220   5.361
    3    HA2  GLY  10           HA3      GLY  10 -13.161  -7.807   5.875

  No H/Q in entry =           3
  In of MODEL   64
    1    H    LEU  11           H        LEU  11 -10.717  -7.928   4.557
    2    HA   LEU  11           HA       LEU  11  -9.017  -6.491   6.311
    3    HB2  LEU  11           HB2      LEU  11  -8.471  -7.915   3.703
    4    HB3  LEU  11           HB3      LEU  11  -7.201  -7.208   4.700
    5    HG   LEU  11           HG       LEU  11  -9.198  -9.244   5.720
    6   HD13  LEU  11          HD11      LEU  11  -7.977 -10.480   4.154
    7   HD12  LEU  11          HD12      LEU  11  -7.039 -10.716   5.628
    8   HD11  LEU  11          HD13      LEU  11  -6.502  -9.551   4.419
    9   HD22  LEU  11          HD21      LEU  11  -8.344  -8.229   7.635
   10   HD21  LEU  11          HD22      LEU  11  -6.808  -7.825   6.870
   11   HD23  LEU  11          HD23      LEU  11  -7.130  -9.482   7.380

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  12           H        ILE  12  -9.924  -5.947   2.922
    2    HA   ILE  12           HA       ILE  12  -8.237  -3.715   2.492
    3    HB   ILE  12           HB       ILE  12 -10.944  -4.382   1.274
    4   HG12  ILE  12          HG12      ILE  12  -9.253  -6.175   0.966
    5   HG13  ILE  12          HG13      ILE  12  -9.697  -5.421  -0.552
    6   HG22  ILE  12          HG21      ILE  12  -8.737  -2.625   0.195
    7   HG21  ILE  12          HG22      ILE  12 -10.237  -2.037   0.915
    8   HG23  ILE  12          HG23      ILE  12 -10.275  -2.985  -0.577
    9   HD12  ILE  12          HD11      ILE  12  -7.164  -5.015   1.047
   10   HD11  ILE  12          HD12      ILE  12  -7.634  -3.975  -0.285
   11   HD13  ILE  12          HD13      ILE  12  -7.337  -5.685  -0.566

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  13           H        ILE  13 -11.596  -3.988   3.590
    2    HA   ILE  13           HA       ILE  13 -12.062  -1.202   3.859
    3    HB   ILE  13           HB       ILE  13 -13.282  -3.606   5.234
    4   HG12  ILE  13          HG12      ILE  13 -13.493  -3.066   2.665
    5   HG13  ILE  13          HG13      ILE  13 -14.921  -3.525   3.577
    6   HG22  ILE  13          HG21      ILE  13 -15.149  -1.918   5.746
    7   HG21  ILE  13          HG22      ILE  13 -13.956  -0.664   5.403
    8   HG23  ILE  13          HG23      ILE  13 -13.687  -1.799   6.726
    9   HD13  ILE  13          HD11      ILE  13 -15.798  -1.371   3.554
   10   HD12  ILE  13          HD12      ILE  13 -14.946  -1.382   2.015
   11   HD11  ILE  13          HD13      ILE  13 -14.208  -0.622   3.423

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ASN  14           H        ASN  14 -10.942  -3.689   6.133
    2    HA   ASN  14           HA       ASN  14 -10.742  -2.049   8.418
    3    HB2  ASN  14           HB2      ASN  14 -10.483  -4.656   8.097
    4    HB3  ASN  14           HB3      ASN  14  -8.775  -4.264   7.937
    5   HD21  ASN  14          HD21      ASN  14  -9.405  -5.789  10.115
    6   HD22  ASN  14          HD22      ASN  14  -9.378  -4.868  11.539

  No H/Q in entry =           6
  In of MODEL   64
    1    H    SER  15           H        SER  15  -8.341  -2.867   5.924
    2    HA   SER  15           HA       SER  15  -6.201  -1.367   6.992
    3    HB2  SER  15           HB2      SER  15  -5.162  -1.611   4.867
    4    HB3  SER  15           HB3      SER  15  -6.151  -3.054   5.059
    5    HG   SER  15           HG       SER  15  -6.812  -2.377   3.146

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLY  16           H        GLY  16  -8.808  -0.510   4.748
    2    HA3  GLY  16           HA2      GLY  16  -7.959   2.133   4.193
    3    HA2  GLY  16           HA3      GLY  16  -9.608   1.533   4.034

  No H/Q in entry =           3
  In of MODEL   64
    1    H    GLN  17           H        GLN  17 -10.145   0.807   6.685
    2    HA   GLN  17           HA       GLN  17 -10.860   3.310   7.825
    3    HB2  GLN  17           HB2      GLN  17 -11.904   0.976   8.218
    4    HB3  GLN  17           HB3      GLN  17 -10.628   0.763   9.414
    5    HG2  GLN  17           HG2      GLN  17 -11.515   2.329  10.852
    6    HG3  GLN  17           HG3      GLN  17 -12.189   3.310   9.555
    7   HE21  GLN  17          HE21      GLN  17 -14.233   3.287  10.893
    8   HE22  GLN  17          HE22      GLN  17 -15.261   1.941  10.781

  No H/Q in entry =           8
  In of MODEL   64
    1    H    ALA  18           H        ALA  18  -8.222   1.039   8.442
    2    HA   ALA  18           HA       ALA  18  -7.127   2.261  10.711
    3    HB2  ALA  18           HB1      ALA  18  -6.510   0.047   9.344
    4    HB3  ALA  18           HB2      ALA  18  -5.349   0.835  10.413
    5    HB1  ALA  18           HB3      ALA  18  -5.274   1.113   8.672

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ARG  19           H        ARG  19  -6.361   2.786   7.261
    2    HA   ARG  19           HA       ARG  19  -4.471   4.841   7.686
    3    HB2  ARG  19           HB2      ARG  19  -4.795   3.697   5.492
    4    HB3  ARG  19           HB3      ARG  19  -6.341   4.531   5.316
    5    HG2  ARG  19           HG2      ARG  19  -5.222   6.708   5.382
    6    HG3  ARG  19           HG3      ARG  19  -3.670   5.929   5.685
    7    HD2  ARG  19           HD2      ARG  19  -3.800   6.517   3.341
    8    HD3  ARG  19           HD3      ARG  19  -3.877   4.757   3.488
    9    HE   ARG  19           HE       ARG  19  -6.514   5.654   3.483
   10   HH11  ARG  19          HH11      ARG  19  -3.742   5.729   1.446
   11   HH12  ARG  19          HH12      ARG  19  -4.643   5.839  -0.022
   12   HH21  ARG  19          HH21      ARG  19  -7.712   5.804   1.566
   13   HH22  ARG  19          HH22      ARG  19  -6.892   5.884   0.045

  No H/Q in entry =          13
  In of MODEL   64
    1    H    SER  20           H        SER  20  -7.970   4.940   7.090
    2    HA   SER  20           HA       SER  20  -8.341   7.694   7.039
    3    HB2  SER  20           HB2      SER  20 -10.213   6.344   6.507
    4    HB3  SER  20           HB3      SER  20 -10.100   5.453   8.022
    5    HG   SER  20           HG       SER  20 -10.606   8.239   7.842

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  21           H        LEU  21  -8.327   5.513   9.846
    2    HA   LEU  21           HA       LEU  21  -8.776   7.508  11.809
    3    HB2  LEU  21           HB2      LEU  21  -7.395   4.819  11.944
    4    HB3  LEU  21           HB3      LEU  21  -7.707   5.818  13.362
    5    HG   LEU  21           HG       LEU  21  -9.886   4.964  11.441
    6   HD12  LEU  21          HD11      LEU  21  -9.607   3.698  14.134
    7   HD11  LEU  21          HD12      LEU  21  -8.540   3.125  12.854
    8   HD13  LEU  21          HD13      LEU  21 -10.288   3.039  12.649
    9   HD21  LEU  21          HD21      LEU  21  -9.757   6.754  13.722
   10   HD23  LEU  21          HD22      LEU  21 -10.844   5.416  14.083
   11   HD22  LEU  21          HD23      LEU  21 -11.119   6.414  12.657

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ALA  22           H        ALA  22  -5.818   6.149  10.400
    2    HA   ALA  22           HA       ALA  22  -3.944   7.474  12.019
    3    HB2  ALA  22           HB1      ALA  22  -3.519   5.621  10.329
    4    HB1  ALA  22           HB2      ALA  22  -2.330   6.923  10.362
    5    HB3  ALA  22           HB3      ALA  22  -3.549   6.872   9.087

  No H/Q in entry =           5
  In of MODEL   64
    1    H    TYR  23           H        TYR  23  -5.269   8.481   8.837
    2    HA   TYR  23           HA       TYR  23  -3.946  10.984   8.764
    3    HB2  TYR  23           HB2      TYR  23  -5.021  10.072   6.772
    4    HB3  TYR  23           HB3      TYR  23  -6.600  10.161   7.553
    5    HD1  TYR  23           HD1      TYR  23  -3.715  12.238   6.415
    6    HD2  TYR  23           HD2      TYR  23  -7.861  12.158   7.533
    7    HE1  TYR  23           HE1      TYR  23  -3.964  14.587   5.660
    8    HE2  TYR  23           HE2      TYR  23  -8.111  14.506   6.778
    9    HH   TYR  23           HH       TYR  23  -5.382  16.261   5.305

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ALA  24           H        ALA  24  -7.059   9.991  10.146
    2    HA   ALA  24           HA       ALA  24  -7.909  12.577  10.916
    3    HB1  ALA  24           HB1      ALA  24  -9.721  11.317  11.386
    4    HB2  ALA  24           HB2      ALA  24  -8.890  10.751  12.833
    5    HB3  ALA  24           HB3      ALA  24  -8.762   9.838  11.331

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA  25           H        ALA  25  -5.893  10.131  12.490
    2    HA   ALA  25           HA       ALA  25  -5.560  11.388  14.991
    3    HB2  ALA  25           HB1      ALA  25  -4.781   9.039  14.172
    4    HB3  ALA  25           HB2      ALA  25  -3.769   9.904  15.331
    5    HB1  ALA  25           HB3      ALA  25  -3.335   9.888  13.621

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  26           H        LEU  26  -3.773  11.694  11.949
    2    HA   LEU  26           HA       LEU  26  -1.823  13.525  12.862
    3    HB2  LEU  26           HB2      LEU  26  -1.517  12.373  10.759
    4    HB3  LEU  26           HB3      LEU  26  -2.995  13.073  10.105
    5    HG   LEU  26           HG       LEU  26  -1.992  15.328  10.238
    6   HD12  LEU  26          HD11      LEU  26   0.546  15.362  10.650
    7   HD11  LEU  26          HD12      LEU  26   0.332  13.781  11.396
    8   HD13  LEU  26          HD13      LEU  26  -0.483  15.192  12.072
    9   HD21  LEU  26          HD21      LEU  26  -0.239  13.282   8.843
   10   HD23  LEU  26          HD22      LEU  26  -0.292  15.003   8.472
   11   HD22  LEU  26          HD23      LEU  26  -1.710  13.997   8.185

  No H/Q in entry =          11
  In of MODEL   64
    1    H    LYS  27           H        LYS  27  -5.009  13.990  11.387
    2    HA   LYS  27           HA       LYS  27  -4.968  16.778  11.186
    3    HB2  LYS  27           HB2      LYS  27  -6.704  15.290  10.203
    4    HB3  LYS  27           HB3      LYS  27  -7.359  15.032  11.820
    5    HG2  LYS  27           HG2      LYS  27  -7.800  17.436  12.054
    6    HG3  LYS  27           HG3      LYS  27  -7.095  17.735  10.462
    7    HD2  LYS  27           HD2      LYS  27  -8.820  16.291   9.429
    8    HD3  LYS  27           HD3      LYS  27  -9.532  16.009  11.019
    9    HE2  LYS  27           HE2      LYS  27  -9.986  18.418  11.261
   10    HE3  LYS  27           HE3      LYS  27  -9.247  18.722   9.685
   11    HZ3  LYS  27           HZ1      LYS  27 -11.623  18.585   9.445
   12    HZ2  LYS  27           HZ2      LYS  27 -11.664  17.069  10.216
   13    HZ1  LYS  27           HZ3      LYS  27 -10.921  17.235   8.694

  No H/Q in entry =          13
  In of MODEL   64
    1    H    GLN  28           H        GLN  28  -5.845  14.690  13.916
    2    HA   GLN  28           HA       GLN  28  -6.748  16.691  15.691
    3    HB2  GLN  28           HB2      GLN  28  -5.342  14.062  16.225
    4    HB3  GLN  28           HB3      GLN  28  -6.069  15.066  17.480
    5    HG2  GLN  28           HG2      GLN  28  -7.564  13.977  15.080
    6    HG3  GLN  28           HG3      GLN  28  -7.592  13.251  16.686
    7   HE21  GLN  28          HE21      GLN  28  -9.492  15.107  14.790
    8   HE22  GLN  28          HE22      GLN  28 -10.223  16.096  15.961

  No H/Q in entry =           8
  In of MODEL   64
    1    H    ALA  29           H        ALA  29  -3.524  15.408  15.000
    2    HA   ALA  29           HA       ALA  29  -2.090  16.814  16.976
    3    HB1  ALA  29           HB1      ALA  29  -0.158  16.129  15.856
    4    HB3  ALA  29           HB2      ALA  29  -0.914  16.249  14.267
    5    HB2  ALA  29           HB3      ALA  29  -1.330  14.916  15.343

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LYS  30           H        LYS  30  -2.954  17.687  13.647
    2    HA   LYS  30           HA       LYS  30  -1.551  20.131  13.543
    3    HB2  LYS  30           HB2      LYS  30  -4.081  19.249  12.137
    4    HB3  LYS  30           HB3      LYS  30  -3.251  20.766  11.791
    5    HG2  LYS  30           HG2      LYS  30  -1.179  19.477  11.277
    6    HG3  LYS  30           HG3      LYS  30  -2.081  17.980  11.524
    7    HD2  LYS  30           HD2      LYS  30  -3.649  18.615   9.730
    8    HD3  LYS  30           HD3      LYS  30  -2.769  20.125   9.485
    9    HE2  LYS  30           HE2      LYS  30  -0.734  18.836   8.905
   10    HE3  LYS  30           HE3      LYS  30  -1.633  17.331   9.119
   11    HZ2  LYS  30           HZ1      LYS  30  -1.461  18.201   6.776
   12    HZ1  LYS  30           HZ2      LYS  30  -2.507  19.462   7.244
   13    HZ3  LYS  30           HZ3      LYS  30  -3.028  17.844   7.317

  No H/Q in entry =          13
  In of MODEL   64
    1    H    GLN  31           H        GLN  31  -4.648  19.275  14.959
    2    HA   GLN  31           HA       GLN  31  -5.415  22.030  15.410
    3    HB2  GLN  31           HB2      GLN  31  -6.590  19.584  16.736
    4    HB3  GLN  31           HB3      GLN  31  -7.352  21.154  16.490
    5    HG2  GLN  31           HG2      GLN  31  -6.643  20.376  13.900
    6    HG3  GLN  31           HG3      GLN  31  -7.165  18.872  14.648
    7   HE21  GLN  31          HE21      GLN  31  -8.580  20.443  12.547
    8   HE22  GLN  31          HE22      GLN  31 -10.093  20.833  13.207

  No H/Q in entry =           8
  In of MODEL   64
    1    H    GLY  32           H        GLY  32  -3.099  20.106  16.729
    2    HA3  GLY  32           HA2      GLY  32  -1.697  20.570  18.529
    3    HA2  GLY  32           HA3      GLY  32  -2.826  21.813  19.053

  No H/Q in entry =           3
  In of MODEL   64
    1    H    ASP  33           H        ASP  33  -4.247  18.772  18.395
    2    HA   ASP  33           HA       ASP  33  -4.654  18.315  21.275
    3    HB2  ASP  33           HB2      ASP  33  -6.063  17.302  18.800
    4    HB3  ASP  33           HB3      ASP  33  -6.406  16.692  20.417

  No H/Q in entry =           4
  In of MODEL   64
    1    H    PHE  34           H        PHE  34  -2.485  17.466  21.578
    2    HA   PHE  34           HA       PHE  34  -1.485  15.217  20.177
    3    HB2  PHE  34           HB2      PHE  34  -0.865  16.203  22.970
    4    HB3  PHE  34           HB3      PHE  34   0.063  14.980  22.102
    5    HD1  PHE  34           HD1      PHE  34  -0.110  18.406  22.836
    6    HD2  PHE  34           HD2      PHE  34   0.718  15.702  19.601
    7    HE1  PHE  34           HE1      PHE  34   1.183  20.177  21.680
    8    HE2  PHE  34           HE2      PHE  34   2.006  17.476  18.450
    9    HZ   PHE  34           HZ       PHE  34   2.240  19.711  19.494

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ALA  35           H        ALA  35  -3.521  15.494  23.042
    2    HA   ALA  35           HA       ALA  35  -3.306  12.832  23.939
    3    HB3  ALA  35           HB1      ALA  35  -5.763  13.457  24.800
    4    HB1  ALA  35           HB2      ALA  35  -5.231  15.075  24.343
    5    HB2  ALA  35           HB3      ALA  35  -4.315  14.152  25.533

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA  36           H        ALA  36  -5.760  14.347  21.842
    2    HA   ALA  36           HA       ALA  36  -7.175  11.934  21.367
    3    HB1  ALA  36           HB1      ALA  36  -8.632  13.356  20.413
    4    HB3  ALA  36           HB2      ALA  36  -7.462  13.777  19.162
    5    HB2  ALA  36           HB3      ALA  36  -7.485  14.665  20.686

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA  37           H        ALA  37  -4.497  13.523  19.695
    2    HA   ALA  37           HA       ALA  37  -4.465  11.887  17.398
    3    HB3  ALA  37           HB1      ALA  37  -2.471  13.600  18.817
    4    HB2  ALA  37           HB2      ALA  37  -3.004  13.655  17.138
    5    HB1  ALA  37           HB3      ALA  37  -1.849  12.426  17.658

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LYS  38           H        LYS  38  -2.703  11.582  20.474
    2    HA   LYS  38           HA       LYS  38  -1.377   9.183  19.983
    3    HB2  LYS  38           HB2      LYS  38  -1.698  10.946  22.129
    4    HB3  LYS  38           HB3      LYS  38  -2.316   9.416  22.746
    5    HG2  LYS  38           HG2      LYS  38  -0.222   8.296  22.207
    6    HG3  LYS  38           HG3      LYS  38   0.385   9.742  21.392
    7    HD2  LYS  38           HD2      LYS  38   0.556  10.961  23.427
    8    HD3  LYS  38           HD3      LYS  38  -0.461   9.810  24.296
    9    HE2  LYS  38           HE2      LYS  38   1.895   9.496  24.912
   10    HE3  LYS  38           HE3      LYS  38   1.291   8.079  24.049
   11    HZ3  LYS  38           HZ1      LYS  38   2.589   8.498  22.266
   12    HZ2  LYS  38           HZ2      LYS  38   3.545   9.327  23.401
   13    HZ1  LYS  38           HZ3      LYS  38   2.464  10.186  22.411

  No H/Q in entry =          13
  In of MODEL   64
    1    H    ALA  39           H        ALA  39  -4.614   9.676  21.390
    2    HA   ALA  39           HA       ALA  39  -5.172   6.957  21.896
    3    HB3  ALA  39           HB1      ALA  39  -7.333   8.900  21.131
    4    HB2  ALA  39           HB2      ALA  39  -6.433   9.128  22.631
    5    HB1  ALA  39           HB3      ALA  39  -7.349   7.643  22.369

  No H/Q in entry =           5
  In of MODEL   64
    1    H    MET  40           H        MET  40  -5.762   8.969  19.050
    2    HA   MET  40           HA       MET  40  -7.239   7.036  17.591
    3    HB2  MET  40           HB2      MET  40  -5.632   9.432  16.684
    4    HB3  MET  40           HB3      MET  40  -6.659   8.472  15.616
    5    HG2  MET  40           HG2      MET  40  -7.691   9.721  18.175
    6    HG3  MET  40           HG3      MET  40  -7.751  10.555  16.624
    7    HE3  MET  40           HE1      MET  40 -10.336   8.934  14.564
    8    HE2  MET  40           HE2      MET  40  -8.584   9.052  14.413
    9    HE1  MET  40           HE3      MET  40  -9.501  10.417  15.048

  No H/Q in entry =           9
  In of MODEL   64
    1    H    MET  41           H        MET  41  -3.748   7.776  17.709
    2    HA   MET  41           HA       MET  41  -2.991   6.022  15.608
    3    HB2  MET  41           HB2      MET  41  -1.372   6.691  18.079
    4    HB3  MET  41           HB3      MET  41  -0.756   6.043  16.563
    5    HG2  MET  41           HG2      MET  41  -1.916   8.224  15.560
    6    HG3  MET  41           HG3      MET  41  -1.678   8.813  17.204
    7    HE2  MET  41           HE1      MET  41   1.243   6.717  17.562
    8    HE1  MET  41           HE2      MET  41   0.454   8.010  18.461
    9    HE3  MET  41           HE3      MET  41   2.076   8.256  17.816

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ASP  42           H        ASP  42  -3.371   5.549  19.095
    2    HA   ASP  42           HA       ASP  42  -2.332   2.956  19.254
    3    HB2  ASP  42           HB2      ASP  42  -3.206   4.715  21.077
    4    HB3  ASP  42           HB3      ASP  42  -4.632   3.688  21.007

  No H/Q in entry =           4
  In of MODEL   64
    1    H    GLN  43           H        GLN  43  -5.668   4.056  18.758
    2    HA   GLN  43           HA       GLN  43  -6.808   1.467  18.564
    3    HB2  GLN  43           HB2      GLN  43  -7.736   4.118  17.436
    4    HB3  GLN  43           HB3      GLN  43  -8.697   2.637  17.415
    5    HG2  GLN  43           HG2      GLN  43  -8.400   2.517  19.923
    6    HG3  GLN  43           HG3      GLN  43  -7.678   4.123  19.850
    7   HE21  GLN  43          HE21      GLN  43  -9.856   4.200  21.353
    8   HE22  GLN  43          HE22      GLN  43 -11.218   4.773  20.523

  No H/Q in entry =           8
  In of MODEL   64
    1    H    SER  44           H        SER  44  -5.473   3.682  16.151
    2    HA   SER  44           HA       SER  44  -6.175   2.197  13.863
    3    HB2  SER  44           HB2      SER  44  -4.921   4.582  14.305
    4    HB3  SER  44           HB3      SER  44  -3.567   3.588  13.773
    5    HG   SER  44           HG       SER  44  -4.682   4.558  12.011

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ARG  45           H        ARG  45  -3.295   2.088  15.940
    2    HA   ARG  45           HA       ARG  45  -1.814   0.136  14.556
    3    HB2  ARG  45           HB2      ARG  45  -0.972   1.558  16.424
    4    HB3  ARG  45           HB3      ARG  45  -1.960   0.627  17.545
    5    HG2  ARG  45           HG2      ARG  45  -0.727  -1.430  16.901
    6    HG3  ARG  45           HG3      ARG  45   0.286  -0.474  15.822
    7    HD2  ARG  45           HD2      ARG  45   1.021   0.908  17.777
    8    HD3  ARG  45           HD3      ARG  45   0.101  -0.168  18.851
    9    HE   ARG  45           HE       ARG  45   1.801  -1.762  17.269
   10   HH11  ARG  45          HH11      ARG  45   2.103   0.705  19.658
   11   HH12  ARG  45          HH12      ARG  45   3.570   0.069  20.312
   12   HH21  ARG  45          HH21      ARG  45   3.703  -2.582  18.104
   13   HH22  ARG  45          HH22      ARG  45   4.476  -1.795  19.434

  No H/Q in entry =          13
  In of MODEL   64
    1    H    MET  46           H        MET  46  -4.208  -0.188  17.159
    2    HA   MET  46           HA       MET  46  -4.037  -2.987  17.465
    3    HB2  MET  46           HB2      MET  46  -6.322  -1.077  18.007
    4    HB3  MET  46           HB3      MET  46  -6.297  -2.766  18.523
    5    HG2  MET  46           HG2      MET  46  -4.331  -2.392  19.880
    6    HG3  MET  46           HG3      MET  46  -4.136  -0.767  19.239
    7    HE1  MET  46           HE1      MET  46  -5.911  -3.242  21.228
    8    HE3  MET  46           HE2      MET  46  -7.544  -2.644  20.974
    9    HE2  MET  46           HE3      MET  46  -6.744  -2.366  22.515

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ALA  47           H        ALA  47  -6.061  -0.972  15.373
    2    HA   ALA  47           HA       ALA  47  -7.678  -3.024  14.308
    3    HB3  ALA  47           HB1      ALA  47  -8.360  -0.787  13.893
    4    HB1  ALA  47           HB2      ALA  47  -7.872  -1.420  12.321
    5    HB2  ALA  47           HB3      ALA  47  -6.792  -0.351  13.217

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  48           H        LEU  48  -4.561  -1.713  13.255
    2    HA   LEU  48           HA       LEU  48  -4.281  -3.303  10.913
    3    HB2  LEU  48           HB2      LEU  48  -2.223  -2.024  12.720
    4    HB3  LEU  48           HB3      LEU  48  -1.855  -2.744  11.152
    5    HG   LEU  48           HG       LEU  48  -3.879  -0.527  11.544
    6   HD13  LEU  48          HD11      LEU  48  -1.757   0.349  12.208
    7   HD12  LEU  48          HD12      LEU  48  -2.033   0.903  10.556
    8   HD11  LEU  48          HD13      LEU  48  -0.935  -0.443  10.864
    9   HD22  LEU  48          HD21      LEU  48  -4.352  -1.512   9.468
   10   HD21  LEU  48          HD22      LEU  48  -2.669  -1.947   9.172
   11   HD23  LEU  48          HD23      LEU  48  -3.188  -0.267   9.013

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ASN  49           H        ASN  49  -3.233  -3.701  14.258
    2    HA   ASN  49           HA       ASN  49  -1.631  -5.964  13.926
    3    HB2  ASN  49           HB2      ASN  49  -1.665  -4.671  16.010
    4    HB3  ASN  49           HB3      ASN  49  -3.324  -5.183  16.315
    5   HD21  ASN  49          HD21      ASN  49  -1.008  -5.775  18.045
    6   HD22  ASN  49          HD22      ASN  49  -0.855  -7.466  18.079

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLU  50           H        GLU  50  -5.099  -5.687  14.600
    2    HA   GLU  50           HA       GLU  50  -5.613  -8.486  14.709
    3    HB2  GLU  50           HB2      GLU  50  -7.197  -6.798  15.586
    4    HB3  GLU  50           HB3      GLU  50  -7.491  -6.233  13.940
    5    HG2  GLU  50           HG2      GLU  50  -8.358  -8.429  13.302
    6    HG3  GLU  50           HG3      GLU  50  -7.976  -9.073  14.895

  No H/Q in entry =           6
  In of MODEL   64
    1    H    ALA  51           H        ALA  51  -5.681  -6.087  12.113
    2    HA   ALA  51           HA       ALA  51  -6.669  -7.814  10.091
    3    HB2  ALA  51           HB1      ALA  51  -6.448  -6.001   8.723
    4    HB1  ALA  51           HB2      ALA  51  -4.808  -5.654   9.270
    5    HB3  ALA  51           HB3      ALA  51  -6.191  -5.141  10.240

  No H/Q in entry =           5
  In of MODEL   64
    1    H    HIS  52           H        HIS  52  -3.377  -6.911  11.073
    2    HA   HIS  52           HA       HIS  52  -1.981  -8.402   9.123
    3    HB2  HIS  52           HB2      HIS  52  -0.967  -6.660  10.594
    4    HB3  HIS  52           HB3      HIS  52  -1.091  -7.782  11.948
    5    HD1  HIS  52           HD1      HIS  52   0.224 -10.132  11.604
    6    HD2  HIS  52           HD2      HIS  52   1.297  -7.037   9.026
    7    HE1  HIS  52           HE1      HIS  52   2.450 -10.786  10.588
    8    HE2  HIS  52           HE2      HIS  52   3.119  -8.908   9.015

  No H/Q in entry =           8
  In of MODEL   64
    1    H    LEU  53           H        LEU  53  -3.192  -9.278  12.335
    2    HA   LEU  53           HA       LEU  53  -1.999 -11.824  12.528
    3    HB2  LEU  53           HB2      LEU  53  -4.490 -10.607  13.707
    4    HB3  LEU  53           HB3      LEU  53  -4.063 -12.286  14.023
    5    HG   LEU  53           HG       LEU  53  -2.097 -10.027  14.461
    6   HD12  LEU  53          HD11      LEU  53  -2.809 -10.453  16.945
    7   HD11  LEU  53          HD12      LEU  53  -4.306 -11.051  16.228
    8   HD13  LEU  53          HD13      LEU  53  -3.794  -9.387  15.943
    9   HD21  LEU  53          HD21      LEU  53  -2.302 -12.933  15.262
   10   HD23  LEU  53          HD22      LEU  53  -1.322 -11.811  16.202
   11   HD22  LEU  53          HD23      LEU  53  -0.950 -12.091  14.504

  No H/Q in entry =          11
  In of MODEL   64
    1    H    VAL  54           H        VAL  54  -5.109 -10.788  11.168
    2    HA   VAL  54           HA       VAL  54  -6.029 -13.380  10.480
    3    HB   VAL  54           HB       VAL  54  -6.670 -10.646   9.347
    4   HG12  VAL  54          HG11      VAL  54  -8.776 -12.019   8.536
    5   HG11  VAL  54          HG12      VAL  54  -7.667 -13.387   8.607
    6   HG13  VAL  54          HG13      VAL  54  -7.305 -12.013   7.565
    7   HG22  VAL  54          HG21      VAL  54  -7.576 -10.682  11.499
    8   HG21  VAL  54          HG22      VAL  54  -7.834 -12.425  11.479
    9   HG23  VAL  54          HG23      VAL  54  -8.913 -11.365  10.574

  No H/Q in entry =           9
  In of MODEL   64
    1    H    GLN  55           H        GLN  55  -4.152 -10.933   8.691
    2    HA   GLN  55           HA       GLN  55  -4.027 -12.397   6.273
    3    HB2  GLN  55           HB2      GLN  55  -3.418 -10.134   6.083
    4    HB3  GLN  55           HB3      GLN  55  -2.307 -10.213   7.448
    5    HG2  GLN  55           HG2      GLN  55  -0.592 -11.063   6.170
    6    HG3  GLN  55           HG3      GLN  55  -1.669 -12.035   5.176
    7   HE21  GLN  55          HE21      GLN  55  -1.685 -11.345   3.055
    8   HE22  GLN  55          HE22      GLN  55  -1.483  -9.740   2.545

  No H/Q in entry =           8
  In of MODEL   64
    1    H    THR  56           H        THR  56  -1.920 -12.382   9.152
    2    HA   THR  56           HA       THR  56   0.154 -13.986   8.233
    3    HB   THR  56           HB       THR  56  -1.096 -14.217  10.983
    4    HG1  THR  56           HG1      THR  56   0.808 -12.568  11.185
    5   HG23  THR  56          HG21      THR  56   0.898 -15.175  11.672
    6   HG22  THR  56          HG22      THR  56   1.849 -14.282  10.487
    7   HG21  THR  56          HG23      THR  56   0.923 -15.696   9.988

  No H/Q in entry =           7
  In of MODEL   64
    1    H    LYS  57           H        LYS  57  -2.968 -15.014   9.598
    2    HA   LYS  57           HA       LYS  57  -2.531 -17.811   9.351
    3    HB2  LYS  57           HB2      LYS  57  -4.359 -16.763  10.699
    4    HB3  LYS  57           HB3      LYS  57  -5.174 -16.349   9.190
    5    HG2  LYS  57           HG2      LYS  57  -5.271 -18.716   8.561
    6    HG3  LYS  57           HG3      LYS  57  -4.392 -19.157  10.025
    7    HD2  LYS  57           HD2      LYS  57  -6.226 -18.224  11.400
    8    HD3  LYS  57           HD3      LYS  57  -7.112 -17.819   9.929
    9    HE2  LYS  57           HE2      LYS  57  -6.890 -20.307   9.312
   10    HE3  LYS  57           HE3      LYS  57  -6.414 -20.559  10.992
   11    HZ2  LYS  57           HZ1      LYS  57  -9.005 -20.065   9.895
   12    HZ1  LYS  57           HZ2      LYS  57  -8.632 -18.979  11.148
   13    HZ3  LYS  57           HZ3      LYS  57  -8.576 -20.655  11.426

  No H/Q in entry =          13
  In of MODEL   64
    1    H    LEU  58           H        LEU  58  -3.856 -15.364   7.177
    2    HA   LEU  58           HA       LEU  58  -4.665 -17.186   5.170
    3    HB2  LEU  58           HB2      LEU  58  -4.049 -14.240   5.035
    4    HB3  LEU  58           HB3      LEU  58  -4.716 -15.174   3.695
    5    HG   LEU  58           HG       LEU  58  -5.994 -14.991   6.444
    6   HD11  LEU  58          HD11      LEU  58  -6.290 -13.343   3.953
    7   HD13  LEU  58          HD12      LEU  58  -6.278 -12.836   5.642
    8   HD12  LEU  58          HD13      LEU  58  -7.703 -13.624   4.970
    9   HD22  LEU  58          HD21      LEU  58  -6.963 -16.897   5.574
   10   HD21  LEU  58          HD22      LEU  58  -6.623 -16.446   3.903
   11   HD23  LEU  58          HD23      LEU  58  -7.984 -15.716   4.755

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  59           H        ILE  59  -1.525 -15.985   6.030
    2    HA   ILE  59           HA       ILE  59  -0.431 -16.716   3.393
    3    HB   ILE  59           HB       ILE  59   0.298 -14.634   4.911
    4   HG12  ILE  59          HG12      ILE  59   2.388 -16.250   3.444
    5   HG13  ILE  59          HG13      ILE  59   1.138 -15.338   2.613
    6   HG21  ILE  59          HG21      ILE  59   1.118 -16.011   6.801
    7   HG23  ILE  59          HG22      ILE  59   2.394 -15.067   6.080
    8   HG22  ILE  59          HG23      ILE  59   2.278 -16.786   5.737
    9   HD12  ILE  59          HD11      ILE  59   3.333 -14.285   4.390
   10   HD11  ILE  59          HD12      ILE  59   1.905 -13.322   4.011
   11   HD13  ILE  59          HD13      ILE  59   2.980 -13.850   2.718

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLU  60           H        GLU  60  -0.444 -17.822   6.760
    2    HA   GLU  60           HA       GLU  60   1.581 -19.807   6.495
    3    HB2  GLU  60           HB2      GLU  60   0.790 -19.031   8.691
    4    HB3  GLU  60           HB3      GLU  60  -0.813 -19.683   8.364
    5    HG2  GLU  60           HG2      GLU  60   0.306 -21.970   8.121
    6    HG3  GLU  60           HG3      GLU  60   1.767 -21.221   8.757

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLY  61           H        GLY  61  -1.930 -19.893   6.010
    2    HA3  GLY  61           HA2      GLY  61  -1.692 -22.687   5.051
    3    HA2  GLY  61           HA3      GLY  61  -3.174 -21.946   5.645

  No H/Q in entry =           3
  In of MODEL   64
    1    H    ASP  62           H        ASP  62  -0.946 -20.361   3.443
    2    HA   ASP  62           HA       ASP  62  -2.991 -19.655   1.620
    3    HB2  ASP  62           HB2      ASP  62  -1.103 -18.907   0.178
    4    HB3  ASP  62           HB3      ASP  62  -1.010 -18.293   1.826

  No H/Q in entry =           4
  In of MODEL   64
    1    H    ALA  63           H        ALA  63  -1.502 -22.620   2.063
    2    HA   ALA  63           HA       ALA  63  -1.435 -23.424  -0.725
    3    HB2  ALA  63           HB1      ALA  63   0.034 -24.304   1.245
    4    HB3  ALA  63           HB2      ALA  63  -0.538 -25.442   0.025
    5    HB1  ALA  63           HB3      ALA  63  -1.353 -25.339   1.586

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLY  64           H        GLY  64  -2.606 -25.575  -1.254
    2    HA3  GLY  64           HA2      GLY  64  -4.656 -26.877  -0.495
    3    HA2  GLY  64           HA3      GLY  64  -5.428 -25.299  -0.398

  No H/Q in entry =           3
  In of MODEL   64
    1    H    GLU  65           H        GLU  65  -4.915 -23.985  -2.605
    2    HA   GLU  65           HA       GLU  65  -6.410 -25.321  -4.611
    3    HB2  GLU  65           HB2      GLU  65  -4.755 -22.794  -4.698
    4    HB3  GLU  65           HB3      GLU  65  -5.754 -23.356  -6.038
    5    HG2  GLU  65           HG2      GLU  65  -7.748 -23.281  -4.620
    6    HG3  GLU  65           HG3      GLU  65  -6.769 -22.794  -3.238

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLY  66           H        GLY  66  -2.945 -24.717  -4.215
    2    HA3  GLY  66           HA2      GLY  66  -2.323 -26.919  -5.984
    3    HA2  GLY  66           HA3      GLY  66  -1.882 -25.342  -6.632

  No H/Q in entry =           3
  In of MODEL   64
    1    H    LYS  67           H        LYS  67   0.140 -27.028  -6.298
    2    HA   LYS  67           HA       LYS  67   1.355 -27.048  -3.732
    3    HB2  LYS  67           HB2      LYS  67   2.678 -27.279  -6.446
    4    HB3  LYS  67           HB3      LYS  67   3.352 -27.803  -4.905
    5    HG2  LYS  67           HG2      LYS  67   0.778 -28.888  -6.084
    6    HG3  LYS  67           HG3      LYS  67   2.348 -29.668  -6.262
    7    HD2  LYS  67           HD2      LYS  67   2.490 -29.625  -3.700
    8    HD3  LYS  67           HD3      LYS  67   0.773 -29.220  -3.722
    9    HE2  LYS  67           HE2      LYS  67   0.249 -31.255  -4.936
   10    HE3  LYS  67           HE3      LYS  67   1.961 -31.642  -5.099
   11    HZ3  LYS  67           HZ1      LYS  67   2.132 -32.248  -2.932
   12    HZ2  LYS  67           HZ2      LYS  67   0.500 -32.651  -3.182
   13    HZ1  LYS  67           HZ3      LYS  67   0.909 -31.195  -2.408

  No H/Q in entry =          13
  In of MODEL   64
    1    H    MET  68           H        MET  68   2.915 -25.554  -6.513
    2    HA   MET  68           HA       MET  68   4.305 -23.648  -4.957
    3    HB2  MET  68           HB2      MET  68   3.884 -24.059  -7.899
    4    HB3  MET  68           HB3      MET  68   4.739 -22.636  -7.304
    5    HG2  MET  68           HG2      MET  68   5.466 -25.476  -6.540
    6    HG3  MET  68           HG3      MET  68   6.246 -24.582  -7.844
    7    HE3  MET  68           HE1      MET  68   6.360 -25.489  -4.185
    8    HE2  MET  68           HE2      MET  68   8.026 -24.933  -4.042
    9    HE1  MET  68           HE3      MET  68   7.558 -25.948  -5.404

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LYS  69           H        LYS  69   1.369 -23.358  -6.940
    2    HA   LYS  69           HA       LYS  69   1.246 -20.516  -6.732
    3    HB2  LYS  69           HB2      LYS  69  -0.808 -22.568  -7.544
    4    HB3  LYS  69           HB3      LYS  69  -1.080 -20.825  -7.621
    5    HG2  LYS  69           HG2      LYS  69   0.895 -20.577  -9.078
    6    HG3  LYS  69           HG3      LYS  69   1.167 -22.317  -9.008
    7    HD2  LYS  69           HD2      LYS  69  -1.072 -22.687 -10.018
    8    HD3  LYS  69           HD3      LYS  69  -1.281 -20.939 -10.147
    9    HE2  LYS  69           HE2      LYS  69   1.005 -22.477 -11.411
   10    HE3  LYS  69           HE3      LYS  69  -0.456 -21.990 -12.269
   11    HZ1  LYS  69           HZ1      LYS  69   0.850 -19.877 -10.791
   12    HZ3  LYS  69           HZ2      LYS  69   0.205 -19.868 -12.362
   13    HZ2  LYS  69           HZ3      LYS  69   1.759 -20.494 -12.082

  No H/Q in entry =          13
  In of MODEL   64
    1    H    VAL  70           H        VAL  70  -0.221 -19.218  -5.649
    2    HA   VAL  70           HA       VAL  70  -1.501 -20.360  -3.242
    3    HB   VAL  70           HB       VAL  70  -0.751 -18.361  -1.987
    4   HG12  VAL  70          HG11      VAL  70   1.645 -19.015  -1.830
    5   HG11  VAL  70          HG12      VAL  70   1.460 -19.967  -3.304
    6   HG13  VAL  70          HG13      VAL  70   0.575 -20.417  -1.846
    7   HG22  VAL  70          HG21      VAL  70   0.985 -16.916  -2.974
    8   HG21  VAL  70          HG22      VAL  70  -0.491 -16.861  -3.939
    9   HG23  VAL  70          HG23      VAL  70   0.885 -17.820  -4.485

  No H/Q in entry =           9
  In of MODEL   64
    1    H    SER  71           H        SER  71  -3.012 -18.620  -2.231
    2    HA   SER  71           HA       SER  71  -4.993 -17.933  -4.111
    3    HB2  SER  71           HB2      SER  71  -5.370 -18.195  -1.649
    4    HB3  SER  71           HB3      SER  71  -4.543 -16.661  -1.398
    5    HG   SER  71           HG       SER  71  -6.156 -15.860  -3.011

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  72           H        LEU  72  -5.203 -16.244  -5.452
    2    HA   LEU  72           HA       LEU  72  -3.091 -14.437  -5.935
    3    HB2  LEU  72           HB2      LEU  72  -5.964 -14.490  -6.857
    4    HB3  LEU  72           HB3      LEU  72  -4.776 -13.328  -7.445
    5    HG   LEU  72           HG       LEU  72  -4.383 -16.331  -7.557
    6   HD12  LEU  72          HD11      LEU  72  -5.184 -14.485  -9.822
    7   HD11  LEU  72          HD12      LEU  72  -6.330 -15.490  -8.934
    8   HD13  LEU  72          HD13      LEU  72  -5.041 -16.243  -9.874
    9   HD22  LEU  72          HD21      LEU  72  -2.251 -15.448  -7.789
   10   HD21  LEU  72          HD22      LEU  72  -2.837 -13.922  -8.449
   11   HD23  LEU  72          HD23      LEU  72  -2.783 -15.360  -9.467

  No H/Q in entry =          11
  In of MODEL   64
    1    H    VAL  73           H        VAL  73  -6.182 -14.074  -4.301
    2    HA   VAL  73           HA       VAL  73  -6.220 -11.303  -3.947
    3    HB   VAL  73           HB       VAL  73  -7.916 -11.667  -2.320
    4   HG11  VAL  73          HG11      VAL  73  -7.928 -13.923  -4.348
    5   HG13  VAL  73          HG12      VAL  73  -8.544 -12.290  -4.605
    6   HG12  VAL  73          HG13      VAL  73  -9.338 -13.360  -3.450
    7   HG22  VAL  73          HG21      VAL  73  -7.040 -13.160  -0.752
    8   HG21  VAL  73          HG22      VAL  73  -6.521 -14.307  -1.986
    9   HG23  VAL  73          HG23      VAL  73  -8.230 -14.169  -1.574

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LEU  74           H        LEU  74  -4.288 -13.680  -2.344
    2    HA   LEU  74           HA       LEU  74  -3.885 -12.581   0.165
    3    HB2  LEU  74           HB2      LEU  74  -2.964 -14.714  -0.504
    4    HB3  LEU  74           HB3      LEU  74  -1.968 -13.946  -1.735
    5    HG   LEU  74           HG       LEU  74  -0.726 -12.750   0.036
    6   HD13  LEU  74          HD11      LEU  74  -2.237 -12.512   1.824
    7   HD12  LEU  74          HD12      LEU  74  -1.130 -13.752   2.409
    8   HD11  LEU  74          HD13      LEU  74  -2.711 -14.210   1.776
    9   HD22  LEU  74          HD21      LEU  74   0.649 -14.588   0.519
   10   HD21  LEU  74          HD22      LEU  74  -0.300 -15.231  -0.810
   11   HD23  LEU  74          HD23      LEU  74  -0.725 -15.643   0.847

  No H/Q in entry =          11
  In of MODEL   64
    1    H    VAL  75           H        VAL  75  -2.637 -11.580  -2.925
    2    HA   VAL  75           HA       VAL  75  -0.703  -9.740  -1.880
    3    HB   VAL  75           HB       VAL  75  -1.991  -9.894  -4.625
    4   HG12  VAL  75          HG11      VAL  75   0.420  -8.761  -5.041
    5   HG11  VAL  75          HG12      VAL  75   0.090  -8.140  -3.424
    6   HG13  VAL  75          HG13      VAL  75  -1.036  -7.815  -4.740
    7   HG22  VAL  75          HG21      VAL  75  -0.804 -11.952  -4.159
    8   HG21  VAL  75          HG22      VAL  75   0.565 -11.073  -3.481
    9   HG23  VAL  75          HG23      VAL  75   0.228 -10.979  -5.208

  No H/Q in entry =           9
  In of MODEL   64
    1    H    HIS  76           H        HIS  76  -4.296  -9.324  -3.261
    2    HA   HIS  76           HA       HIS  76  -4.641  -6.561  -3.145
    3    HB2  HIS  76           HB2      HIS  76  -6.360  -8.139  -4.038
    4    HB3  HIS  76           HB3      HIS  76  -6.736  -8.627  -2.391
    5    HD1  HIS  76           HD1      HIS  76  -6.010  -5.004  -2.743
    6    HD2  HIS  76           HD2      HIS  76  -9.411  -7.433  -2.951
    7    HE1  HIS  76           HE1      HIS  76  -8.023  -3.450  -2.610

  No H/Q in entry =           7
  In of MODEL   64
    1    H    ALA  77           H        ALA  77  -4.691  -8.946  -0.581
    2    HA   ALA  77           HA       ALA  77  -5.514  -7.039   1.449
    3    HB1  ALA  77           HB1      ALA  77  -4.733  -9.939   1.447
    4    HB3  ALA  77           HB2      ALA  77  -6.240  -9.190   1.973
    5    HB2  ALA  77           HB3      ALA  77  -4.792  -9.045   2.968

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLN  78           H        GLN  78  -2.499  -8.757   0.552
    2    HA   GLN  78           HA       GLN  78  -0.915  -7.703   2.631
    3    HB2  GLN  78           HB2      GLN  78  -0.384  -9.642   1.043
    4    HB3  GLN  78           HB3      GLN  78   0.108  -8.412  -0.120
    5    HG2  GLN  78           HG2      GLN  78   1.698  -7.506   1.560
    6    HG3  GLN  78           HG3      GLN  78   1.252  -8.809   2.658
    7   HE21  GLN  78          HE21      GLN  78   0.968 -10.593   0.103
    8   HE22  GLN  78          HE22      GLN  78   2.572 -11.038  -0.229

  No H/Q in entry =           8
  In of MODEL   64
    1    H    LEU  79           H        LEU  79  -1.399  -6.618  -0.712
    2    HA   LEU  79           HA       LEU  79   0.294  -4.396  -0.699
    3    HB2  LEU  79           HB2      LEU  79  -0.738  -5.198  -2.752
    4    HB3  LEU  79           HB3      LEU  79  -2.340  -4.802  -2.141
    5    HG   LEU  79           HG       LEU  79  -1.789  -2.417  -2.113
    6   HD13  LEU  79          HD11      LEU  79   0.453  -2.180  -1.604
    7   HD12  LEU  79          HD12      LEU  79   0.500  -1.892  -3.343
    8   HD11  LEU  79          HD13      LEU  79   0.951  -3.471  -2.699
    9   HD23  LEU  79          HD21      LEU  79  -1.158  -2.217  -4.666
   10   HD22  LEU  79          HD22      LEU  79  -2.686  -2.961  -4.206
   11   HD21  LEU  79          HD23      LEU  79  -1.317  -3.974  -4.653

  No H/Q in entry =          11
  In of MODEL   64
    1    H    HIS  80           H        HIS  80  -3.172  -4.549   0.133
    2    HA   HIS  80           HA       HIS  80  -3.353  -1.792   0.799
    3    HB2  HIS  80           HB2      HIS  80  -5.058  -4.203   1.181
    4    HB3  HIS  80           HB3      HIS  80  -5.390  -2.799   2.199
    5    HD1  HIS  80           HD1      HIS  80  -6.732  -0.973   1.163
    6    HD2  HIS  80           HD2      HIS  80  -5.018  -3.451  -1.719
    7    HE1  HIS  80           HE1      HIS  80  -7.603  -0.171  -1.083
    8    HE2  HIS  80           HE2      HIS  80  -6.564  -1.676  -2.849

  No H/Q in entry =           8
  In of MODEL   64
    1    H    LEU  81           H        LEU  81  -2.871  -4.691   2.789
    2    HA   LEU  81           HA       LEU  81  -2.850  -3.346   5.274
    3    HB2  LEU  81           HB2      LEU  81  -1.642  -5.966   4.390
    4    HB3  LEU  81           HB3      LEU  81  -1.612  -5.409   6.064
    5    HG   LEU  81           HG       LEU  81  -4.161  -5.650   4.440
    6   HD12  LEU  81          HD11      LEU  81  -4.469  -7.716   5.986
    7   HD11  LEU  81          HD12      LEU  81  -2.716  -7.652   6.169
    8   HD13  LEU  81          HD13      LEU  81  -3.428  -7.878   4.571
    9   HD23  LEU  81          HD21      LEU  81  -5.001  -5.853   6.942
   10   HD22  LEU  81          HD22      LEU  81  -4.671  -4.264   6.253
   11   HD21  LEU  81          HD23      LEU  81  -3.486  -5.030   7.311

  No H/Q in entry =          11
  In of MODEL   64
    1    H    MET  82           H        MET  82  -0.176  -4.258   3.098
    2    HA   MET  82           HA       MET  82   1.913  -3.373   4.779
    3    HB2  MET  82           HB2      MET  82   1.692  -3.711   1.787
    4    HB3  MET  82           HB3      MET  82   3.178  -3.147   2.549
    5    HG2  MET  82           HG2      MET  82   1.761  -5.731   3.273
    6    HG3  MET  82           HG3      MET  82   3.132  -5.626   2.171
    7    HE3  MET  82           HE1      MET  82   6.153  -4.904   4.150
    8    HE2  MET  82           HE2      MET  82   5.235  -3.533   3.535
    9    HE1  MET  82           HE3      MET  82   5.316  -5.022   2.598

  No H/Q in entry =           9
  In of MODEL   64
    1    H    THR  83           H        THR  83   0.094  -1.721   2.227
    2    HA   THR  83           HA       THR  83   1.516   0.721   2.313
    3    HB   THR  83           HB       THR  83  -0.658   1.656   1.332
    4    HG1  THR  83           HG1      THR  83  -2.314   0.366   1.226
    5   HG22  THR  83          HG21      THR  83  -0.398  -0.161  -0.671
    6   HG21  THR  83          HG22      THR  83   1.102  -0.461   0.203
    7   HG23  THR  83          HG23      THR  83   0.747   1.154  -0.410

  No H/Q in entry =           7
  In of MODEL   64
    1    H    SER  84           H        SER  84  -1.492  -0.300   3.919
    2    HA   SER  84           HA       SER  84  -1.975   2.131   5.266
    3    HB2  SER  84           HB2      SER  84  -2.819  -0.703   5.830
    4    HB3  SER  84           HB3      SER  84  -3.305   0.639   6.865
    5    HG   SER  84           HG       SER  84  -3.770   0.329   4.073

  No H/Q in entry =           5
  In of MODEL   64
    1    H    MET  85           H        MET  85  -0.276  -0.809   6.390
    2    HA   MET  85           HA       MET  85   0.252   0.113   8.994
    3    HB2  MET  85           HB2      MET  85   0.536  -2.241   8.212
    4    HB3  MET  85           HB3      MET  85   1.997  -1.734   7.365
    5    HG2  MET  85           HG2      MET  85   3.081  -1.119   9.413
    6    HG3  MET  85           HG3      MET  85   1.580  -1.261  10.325
    7    HE2  MET  85           HE1      MET  85   4.664  -2.945   8.874
    8    HE1  MET  85           HE2      MET  85   3.495  -3.404   7.639
    9    HE3  MET  85           HE3      MET  85   4.211  -4.642   8.664

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LEU  86           H        LEU  86   2.183   0.362   6.040
    2    HA   LEU  86           HA       LEU  86   4.406   1.661   7.193
    3    HB2  LEU  86           HB2      LEU  86   4.205   0.581   4.884
    4    HB3  LEU  86           HB3      LEU  86   3.403   2.067   4.374
    5    HG   LEU  86           HG       LEU  86   5.439   3.302   5.351
    6   HD11  LEU  86          HD11      LEU  86   6.133   0.687   6.148
    7   HD13  LEU  86          HD12      LEU  86   7.144   2.127   6.244
    8   HD12  LEU  86          HD13      LEU  86   7.245   1.079   4.832
    9   HD23  LEU  86          HD21      LEU  86   6.143   1.537   2.998
   10   HD22  LEU  86          HD22      LEU  86   6.545   3.233   3.261
   11   HD21  LEU  86          HD23      LEU  86   4.889   2.773   2.865

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ALA  87           H        ALA  87   1.496   2.920   5.614
    2    HA   ALA  87           HA       ALA  87   2.104   5.646   5.699
    3    HB1  ALA  87           HB1      ALA  87  -0.214   4.030   5.161
    4    HB3  ALA  87           HB2      ALA  87   0.104   5.690   4.661
    5    HB2  ALA  87           HB3      ALA  87  -0.688   5.371   6.206

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ARG  88           H        ARG  88   0.409   3.652   8.091
    2    HA   ARG  88           HA       ARG  88  -0.089   5.702   9.940
    3    HB2  ARG  88           HB2      ARG  88  -1.039   3.355  10.006
    4    HB3  ARG  88           HB3      ARG  88   0.501   2.847  10.709
    5    HG2  ARG  88           HG2      ARG  88   0.037   4.922  12.331
    6    HG3  ARG  88           HG3      ARG  88  -1.632   4.606  11.878
    7    HD2  ARG  88           HD2      ARG  88  -1.746   2.756  13.123
    8    HD3  ARG  88           HD3      ARG  88  -0.160   2.167  12.589
    9    HE   ARG  88           HE       ARG  88  -0.683   3.432  15.045
   10   HH11  ARG  88          HH11      ARG  88   1.593   3.603  12.464
   11   HH12  ARG  88          HH12      ARG  88   2.813   4.368  13.424
   12   HH21  ARG  88          HH21      ARG  88   0.882   4.435  16.281
   13   HH22  ARG  88          HH22      ARG  88   2.402   4.855  15.574

  No H/Q in entry =          13
  In of MODEL   64
    1    H    GLU  89           H        GLU  89   2.696   3.470   9.710
    2    HA   GLU  89           HA       GLU  89   3.966   4.352  12.052
    3    HB2  GLU  89           HB2      GLU  89   4.613   2.331  10.706
    4    HB3  GLU  89           HB3      GLU  89   5.392   3.422   9.559
    5    HG2  GLU  89           HG2      GLU  89   6.884   4.261  11.300
    6    HG3  GLU  89           HG3      GLU  89   6.047   3.308  12.522

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LEU  90           H        LEU  90   4.282   5.510   8.725
    2    HA   LEU  90           HA       LEU  90   6.222   7.502   9.307
    3    HB2  LEU  90           HB2      LEU  90   4.211   7.180   7.083
    4    HB3  LEU  90           HB3      LEU  90   5.447   8.445   7.103
    5    HG   LEU  90           HG       LEU  90   6.109   5.506   7.434
    6   HD12  LEU  90          HD11      LEU  90   6.854   5.737   4.993
    7   HD11  LEU  90          HD12      LEU  90   5.845   7.182   4.947
    8   HD13  LEU  90          HD13      LEU  90   5.119   5.612   5.291
    9   HD22  LEU  90          HD21      LEU  90   8.012   6.647   8.114
   10   HD21  LEU  90          HD22      LEU  90   7.666   8.054   7.108
   11   HD23  LEU  90          HD23      LEU  90   8.319   6.587   6.379

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  91           H        ILE  91   2.683   7.532   9.165
    2    HA   ILE  91           HA       ILE  91   2.353  10.305   9.617
    3    HB   ILE  91           HB       ILE  91   0.553   7.937  10.162
    4   HG12  ILE  91          HG12      ILE  91   0.311  10.220   8.178
    5   HG13  ILE  91          HG13      ILE  91   1.164   8.722   7.804
    6   HG22  ILE  91          HG21      ILE  91  -1.171  10.001  10.229
    7   HG21  ILE  91          HG22      ILE  91   0.235  10.826  10.900
    8   HG23  ILE  91          HG23      ILE  91  -0.406   9.391  11.697
    9   HD13  ILE  91          HD11      ILE  91  -0.785   7.442   7.851
   10   HD12  ILE  91          HD12      ILE  91  -1.370   8.960   7.171
   11   HD11  ILE  91          HD13      ILE  91  -1.639   8.596   8.876

  No H/Q in entry =          11
  In of MODEL   64
    1    H    THR  92           H        THR  92   2.750   7.562  11.817
    2    HA   THR  92           HA       THR  92   2.315   8.936  14.242
    3    HB   THR  92           HB       THR  92   4.114   6.595  13.573
    4    HG1  THR  92           HG1      THR  92   2.143   5.845  13.476
    5   HG22  THR  92          HG21      THR  92   3.734   6.311  16.208
    6   HG21  THR  92          HG22      THR  92   3.675   8.071  16.135
    7   HG23  THR  92          HG23      THR  92   5.104   7.211  15.560

  No H/Q in entry =           7
  In of MODEL   64
    1    H    GLU  93           H        GLU  93   5.261   8.478  12.303
    2    HA   GLU  93           HA       GLU  93   7.022   9.899  13.998
    3    HB2  GLU  93           HB2      GLU  93   7.105   9.585  10.983
    4    HB3  GLU  93           HB3      GLU  93   8.449  10.110  11.995
    5    HG2  GLU  93           HG2      GLU  93   7.032   7.478  12.444
    6    HG3  GLU  93           HG3      GLU  93   8.414   7.626  11.366

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LEU  94           H        LEU  94   4.973  10.921  11.289
    2    HA   LEU  94           HA       LEU  94   5.785  13.622  11.188
    3    HB2  LEU  94           HB2      LEU  94   3.190  12.264  10.437
    4    HB3  LEU  94           HB3      LEU  94   3.453  13.991  10.196
    5    HG   LEU  94           HG       LEU  94   5.463  11.998   9.142
    6   HD11  LEU  94          HD11      LEU  94   2.721  12.556   8.084
    7   HD13  LEU  94          HD12      LEU  94   3.700  11.097   7.957
    8   HD12  LEU  94          HD13      LEU  94   4.038  12.477   6.912
    9   HD23  LEU  94          HD21      LEU  94   5.716  13.834   7.420
   10   HD22  LEU  94          HD22      LEU  94   6.134  14.325   9.061
   11   HD21  LEU  94          HD23      LEU  94   4.583  14.797   8.365

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  95           H        ILE  95   3.246  12.011  13.082
    2    HA   ILE  95           HA       ILE  95   2.210  14.363  14.279
    3    HB   ILE  95           HB       ILE  95   2.222  11.481  15.203
    4   HG12  ILE  95          HG12      ILE  95   0.004  13.260  14.157
    5   HG13  ILE  95          HG13      ILE  95   0.957  12.199  13.124
    6   HG21  ILE  95          HG21      ILE  95   0.947  13.957  16.407
    7   HG23  ILE  95          HG22      ILE  95   1.993  12.785  17.210
    8   HG22  ILE  95          HG23      ILE  95   0.357  12.328  16.737
    9   HD13  ILE  95          HD11      ILE  95   0.051  10.262  14.044
   10   HD12  ILE  95          HD12      ILE  95  -1.329  11.354  14.122
   11   HD11  ILE  95          HD13      ILE  95  -0.363  11.054  15.566

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLU  96           H        GLU  96   4.802  12.139  15.271
    2    HA   GLU  96           HA       GLU  96   5.363  13.337  17.762
    3    HB2  GLU  96           HB2      GLU  96   6.306  11.176  17.113
    4    HB3  GLU  96           HB3      GLU  96   7.239  11.948  15.832
    5    HG2  GLU  96           HG2      GLU  96   8.890  12.493  17.293
    6    HG3  GLU  96           HG3      GLU  96   7.746  13.308  18.349

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LEU  97           H        LEU  97   6.434  14.107  14.475
    2    HA   LEU  97           HA       LEU  97   8.324  16.100  15.185
    3    HB2  LEU  97           HB2      LEU  97   6.729  15.554  12.691
    4    HB3  LEU  97           HB3      LEU  97   7.751  16.984  12.812
    5    HG   LEU  97           HG       LEU  97   8.776  14.184  13.370
    6   HD12  LEU  97          HD11      LEU  97   9.770  14.377  11.052
    7   HD11  LEU  97          HD12      LEU  97   8.721  15.769  10.790
    8   HD13  LEU  97          HD13      LEU  97   8.020  14.178  11.085
    9   HD23  LEU  97          HD21      LEU  97  10.946  15.460  12.625
   10   HD22  LEU  97          HD22      LEU  97  10.330  15.731  14.255
   11   HD21  LEU  97          HD23      LEU  97  10.016  16.914  12.987

  No H/Q in entry =          11
  In of MODEL   64
    1    H    HIS  98           H        HIS  98   4.832  16.240  14.535
    2    HA   HIS  98           HA       HIS  98   4.536  19.040  14.670
    3    HB2  HIS  98           HB2      HIS  98   2.645  16.792  15.398
    4    HB3  HIS  98           HB3      HIS  98   2.180  18.493  15.455
    5    HD1  HIS  98           HD1      HIS  98   3.195  15.777  13.049
    6    HD2  HIS  98           HD2      HIS  98   1.823  19.712  12.928
    7    HE1  HIS  98           HE1      HIS  98   2.634  16.266  10.625
    8    HE2  HIS  98           HE2      HIS  98   1.802  18.657  10.531

  No H/Q in entry =           8
  In of MODEL   64
    1    H    GLU  99           H        GLU  99   4.670  16.551  17.169
    2    HA   GLU  99           HA       GLU  99   4.066  18.246  19.368
    3    HB2  GLU  99           HB2      GLU  99   3.975  15.764  19.465
    4    HB3  GLU  99           HB3      GLU  99   5.735  15.717  19.354
    5    HG2  GLU  99           HG2      GLU  99   5.927  17.009  21.428
    6    HG3  GLU  99           HG3      GLU  99   4.175  17.152  21.526

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LYS 100           H        LYS 100   7.117  17.312  17.799
    2    HA   LYS 100           HA       LYS 100   8.776  18.711  19.654
    3    HB2  LYS 100           HB2      LYS 100   9.270  17.786  16.815
    4    HB3  LYS 100           HB3      LYS 100  10.502  18.554  17.821
    5    HG2  LYS 100           HG2      LYS 100  10.126  16.804  19.563
    6    HG3  LYS 100           HG3      LYS 100   8.992  16.002  18.473
    7    HD2  LYS 100           HD2      LYS 100  10.784  15.717  16.803
    8    HD3  LYS 100           HD3      LYS 100  11.923  16.532  17.878
    9    HE2  LYS 100           HE2      LYS 100  11.527  14.776  19.597
   10    HE3  LYS 100           HE3      LYS 100  10.449  13.942  18.473
   11    HZ1  LYS 100           HZ1      LYS 100  13.270  14.608  17.814
   12    HZ3  LYS 100           HZ2      LYS 100  12.224  13.555  16.987
   13    HZ2  LYS 100           HZ3      LYS 100  12.814  13.135  18.524

  No H/Q in entry =          13
  In of MODEL   64
    1    H    LEU 101           H        LEU 101   7.080  19.640  16.701
    2    HA   LEU 101           HA       LEU 101   8.296  22.196  16.365
    3    HB2  LEU 101           HB2      LEU 101   5.698  20.965  15.481
    4    HB3  LEU 101           HB3      LEU 101   5.951  22.696  15.273
    5    HG   LEU 101           HG       LEU 101   7.984  20.677  14.305
    6   HD12  LEU 101          HD11      LEU 101   6.828  21.185  12.021
    7   HD11  LEU 101          HD12      LEU 101   5.430  21.617  13.004
    8   HD13  LEU 101          HD13      LEU 101   6.093  19.985  13.084
    9   HD21  LEU 101          HD21      LEU 101   7.359  23.591  13.750
   10   HD23  LEU 101          HD22      LEU 101   8.337  22.630  12.642
   11   HD22  LEU 101          HD23      LEU 101   8.881  22.886  14.300

  No H/Q in entry =          11
  In of MODEL   64
    1    H    LYS 102           H        LYS 102   6.761  21.059  18.982
    2    HA   LYS 102           HA       LYS 102   6.133  22.151  20.915
    3    HB2  LYS 102           HB2      LYS 102   7.416  24.140  19.790
    4    HB3  LYS 102           HB3      LYS 102   5.818  24.747  19.416
    5    HG2  LYS 102           HG2      LYS 102   7.198  24.489  22.066
    6    HG3  LYS 102           HG3      LYS 102   6.246  25.819  21.439
    7    HD2  LYS 102           HD2      LYS 102   5.000  23.184  22.319
    8    HD3  LYS 102           HD3      LYS 102   5.252  24.544  23.402
    9    HE2  LYS 102           HE2      LYS 102   2.970  24.145  21.916
   10    HE3  LYS 102           HE3      LYS 102   3.476  25.690  22.598
   11    HZ2  LYS 102           HZ1      LYS 102   2.943  25.799  20.219
   12    HZ1  LYS 102           HZ2      LYS 102   4.202  24.716  19.894
   13    HZ3  LYS 102           HZ3      LYS 102   4.548  26.245  20.536

  No H/Q in entry =          13
  In of MODEL   64
    1    H    ALA 103           H        ALA 103   4.493  23.697  18.150
    2    HA   ALA 103           HA       ALA 103   2.041  24.277  19.038
    3    HB1  ALA 103           HB1      ALA 103   1.138  23.437  16.797
    4    HB2  ALA 103           HB2      ALA 103   2.785  22.898  16.465
    5    HB3  ALA 103           HB3      ALA 103   2.453  24.610  16.732

  No H/Q in entry =           5
  In of MODEL   64
    1    H1   ALA   1           H3       ALA   1  10.538 -20.229  -6.259
    2    H2   ALA   1           H2       ALA   1   9.572 -20.433  -7.644
    3    H3   ALA   1           H1       ALA   1   9.135 -21.179  -6.181
    4    HA   ALA   1           HA       ALA   1  10.170 -22.990  -6.922
    5    HB1  ALA   1           HB1      ALA   1  10.263 -22.630  -9.198
    6    HB2  ALA   1           HB2      ALA   1  11.991 -22.483  -8.871
    7    HB3  ALA   1           HB3      ALA   1  10.995 -21.034  -9.020

  No H/Q in entry =           7
  In of MODEL   64
    1    H    GLU   2           H        GLU   2  12.451 -23.945  -6.984
    2    HA   GLU   2           HA       GLU   2  13.836 -23.867  -4.774
    3    HB2  GLU   2           HB2      GLU   2  15.189 -23.738  -7.475
    4    HB3  GLU   2           HB3      GLU   2  15.918 -24.351  -5.992
    5    HG2  GLU   2           HG2      GLU   2  14.896 -26.365  -6.231
    6    HG3  GLU   2           HG3      GLU   2  13.326 -25.616  -6.488

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLU   3           H        GLU   3  15.608 -22.006  -7.178
    2    HA   GLU   3           HA       GLU   3  16.768 -20.322  -5.219
    3    HB2  GLU   3           HB2      GLU   3  16.708 -20.319  -8.229
    4    HB3  GLU   3           HB3      GLU   3  17.458 -18.992  -7.343
    5    HG2  GLU   3           HG2      GLU   3  19.119 -20.370  -6.423
    6    HG3  GLU   3           HG3      GLU   3  18.169 -21.835  -6.643

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LEU   4           H        LEU   4  14.484 -19.468  -7.846
    2    HA   LEU   4           HA       LEU   4  14.025 -16.858  -7.233
    3    HB2  LEU   4           HB2      LEU   4  11.844 -18.827  -7.960
    4    HB3  LEU   4           HB3      LEU   4  11.773 -17.078  -8.158
    5    HG   LEU   4           HG       LEU   4  13.730 -18.946  -9.535
    6   HD13  LEU   4          HD11      LEU   4  12.426 -18.793 -11.443
    7   HD12  LEU   4          HD12      LEU   4  11.723 -17.246 -10.974
    8   HD11  LEU   4          HD13      LEU   4  11.167 -18.736 -10.212
    9   HD23  LEU   4          HD21      LEU   4  14.070 -16.701 -10.886
   10   HD22  LEU   4          HD22      LEU   4  14.932 -16.946  -9.368
   11   HD21  LEU   4          HD23      LEU   4  13.482 -15.946  -9.405

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLU   5           H        GLU   5  12.536 -19.639  -5.589
    2    HA   GLU   5           HA       GLU   5  10.865 -18.064  -3.883
    3    HB2  GLU   5           HB2      GLU   5  10.447 -20.445  -4.422
    4    HB3  GLU   5           HB3      GLU   5  11.853 -20.878  -3.445
    5    HG2  GLU   5           HG2      GLU   5   9.918 -21.079  -2.028
    6    HG3  GLU   5           HG3      GLU   5  10.787 -19.631  -1.523

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLU   6           H        GLU   6  14.009 -19.651  -3.446
    2    HA   GLU   6           HA       GLU   6  14.368 -18.797  -0.748
    3    HB2  GLU   6           HB2      GLU   6  15.556 -20.686  -2.137
    4    HB3  GLU   6           HB3      GLU   6  16.664 -19.390  -2.585
    5    HG2  GLU   6           HG2      GLU   6  17.294 -19.005  -0.321
    6    HG3  GLU   6           HG3      GLU   6  15.946 -19.955   0.302

  No H/Q in entry =           6
  In of MODEL   64
    1    H    VAL   7           H        VAL   7  15.131 -17.471  -3.899
    2    HA   VAL   7           HA       VAL   7  16.823 -15.348  -3.036
    3    HB   VAL   7           HB       VAL   7  15.112 -15.707  -5.510
    4   HG11  VAL   7          HG11      VAL   7  17.012 -13.498  -4.701
    5   HG13  VAL   7          HG12      VAL   7  15.369 -13.352  -5.321
    6   HG12  VAL   7          HG13      VAL   7  16.675 -13.857  -6.394
    7   HG21  VAL   7          HG21      VAL   7  17.217 -17.168  -4.946
    8   HG23  VAL   7          HG22      VAL   7  18.125 -15.709  -5.345
    9   HG22  VAL   7          HG23      VAL   7  17.085 -16.456  -6.555

  No H/Q in entry =           9
  In of MODEL   64
    1    H    VAL   8           H        VAL   8  13.329 -15.611  -3.587
    2    HA   VAL   8           HA       VAL   8  12.669 -12.901  -3.113
    3    HB   VAL   8           HB       VAL   8  11.094 -15.461  -2.740
    4   HG12  VAL   8          HG11      VAL   8   9.228 -13.435  -2.979
    5   HG11  VAL   8          HG12      VAL   8  10.449 -12.690  -1.950
    6   HG13  VAL   8          HG13      VAL   8   9.692 -14.206  -1.463
    7   HG23  VAL   8          HG21      VAL   8  10.220 -13.560  -4.795
    8   HG22  VAL   8          HG22      VAL   8  10.604 -15.273  -4.949
    9   HG21  VAL   8          HG23      VAL   8  11.889 -14.072  -5.048

  No H/Q in entry =           9
  In of MODEL   64
    1    H    MET   9           H        MET   9  12.935 -15.709  -0.935
    2    HA   MET   9           HA       MET   9  12.126 -14.436   1.437
    3    HB2  MET   9           HB2      MET   9  14.036 -16.707   0.857
    4    HB3  MET   9           HB3      MET   9  13.730 -16.163   2.506
    5    HG2  MET   9           HG2      MET   9  11.346 -16.599   2.255
    6    HG3  MET   9           HG3      MET   9  11.574 -17.027   0.559
    7    HE1  MET   9           HE1      MET   9  12.427 -17.501   4.067
    8    HE3  MET   9           HE2      MET   9  13.980 -18.272   3.753
    9    HE2  MET   9           HE3      MET   9  12.630 -19.234   4.350

  No H/Q in entry =           9
  In of MODEL   64
    1    H    GLY  10           H        GLY  10  15.304 -14.665  -0.124
    2    HA3  GLY  10           HA2      GLY  10  16.768 -13.247   1.844
    3    HA2  GLY  10           HA3      GLY  10  17.228 -13.412   0.149

  No H/Q in entry =           3
  In of MODEL   64
    1    H    LEU  11           H        LEU  11  15.059 -12.188  -1.086
    2    HA   LEU  11           HA       LEU  11  15.747  -9.444  -0.923
    3    HB2  LEU  11           HB2      LEU  11  13.376 -10.851  -2.155
    4    HB3  LEU  11           HB3      LEU  11  13.658  -9.116  -2.314
    5    HG   LEU  11           HG       LEU  11  15.682 -11.227  -3.106
    6   HD13  LEU  11          HD11      LEU  11  13.934 -11.591  -4.623
    7   HD12  LEU  11          HD12      LEU  11  14.936 -10.410  -5.465
    8   HD11  LEU  11          HD13      LEU  11  13.465  -9.891  -4.644
    9   HD22  LEU  11          HD21      LEU  11  16.916  -9.264  -2.881
   10   HD21  LEU  11          HD22      LEU  11  15.541  -8.226  -3.258
   11   HD23  LEU  11          HD23      LEU  11  16.369  -9.095  -4.548

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  12           H        ILE  12  12.979 -11.268   0.348
    2    HA   ILE  12           HA       ILE  12  11.589  -9.044   1.411
    3    HB   ILE  12           HB       ILE  12  11.685 -11.951   2.314
    4   HG12  ILE  12          HG12      ILE  12  10.855 -11.568  -0.013
    5   HG13  ILE  12          HG13      ILE  12   9.639 -12.258   1.043
    6   HG21  ILE  12          HG21      ILE  12   9.714  -9.775   3.045
    7   HG23  ILE  12          HG22      ILE  12  10.851 -10.568   4.135
    8   HG22  ILE  12          HG23      ILE  12   9.521 -11.483   3.429
    9   HD12  ILE  12          HD11      ILE  12   9.857  -9.414   0.058
   10   HD11  ILE  12          HD12      ILE  12   8.811  -9.875   1.389
   11   HD13  ILE  12          HD13      ILE  12   8.557 -10.566  -0.207

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  13           H        ILE  13  13.983 -11.250   2.812
    2    HA   ILE  13           HA       ILE  13  14.023 -10.071   5.393
    3    HB   ILE  13           HB       ILE  13  16.103 -11.635   3.845
    4   HG12  ILE  13          HG12      ILE  13  13.811 -12.620   4.662
    5   HG13  ILE  13          HG13      ILE  13  15.289 -13.528   4.959
    6   HG22  ILE  13          HG21      ILE  13  17.087 -11.962   6.195
    7   HG21  ILE  13          HG22      ILE  13  16.115 -10.570   6.672
    8   HG23  ILE  13          HG23      ILE  13  17.358 -10.395   5.433
    9   HD13  ILE  13          HD11      ILE  13  15.257 -13.096   7.236
   10   HD12  ILE  13          HD12      ILE  13  13.525 -13.070   6.908
   11   HD11  ILE  13          HD13      ILE  13  14.421 -11.557   7.034

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ASN  14           H        ASN  14  15.972  -9.538   2.472
    2    HA   ASN  14           HA       ASN  14  17.716  -7.596   3.531
    3    HB2  ASN  14           HB2      ASN  14  17.691  -8.861   1.215
    4    HB3  ASN  14           HB3      ASN  14  16.796  -7.445   0.680
    5   HD21  ASN  14          HD21      ASN  14  19.235  -7.782  -0.509
    6   HD22  ASN  14          HD22      ASN  14  20.378  -6.697   0.117

  No H/Q in entry =           6
  In of MODEL   64
    1    H    SER  15           H        SER  15  14.603  -7.251   1.843
    2    HA   SER  15           HA       SER  15  14.487  -4.431   1.901
    3    HB2  SER  15           HB2      SER  15  12.179  -4.667   1.369
    4    HB3  SER  15           HB3      SER  15  12.960  -6.065   0.637
    5    HG   SER  15           HG       SER  15  11.408  -7.020   1.748

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLY  16           H        GLY  16  13.400  -6.893   4.205
    2    HA3  GLY  16           HA2      GLY  16  12.179  -5.147   6.065
    3    HA2  GLY  16           HA3      GLY  16  12.796  -6.755   6.426

  No H/Q in entry =           3
  In of MODEL   64
    1    H    GLN  17           H        GLN  17  15.506  -6.417   5.830
    2    HA   GLN  17           HA       GLN  17  16.464  -5.195   8.210
    3    HB2  GLN  17           HB2      GLN  17  17.574  -7.012   6.728
    4    HB3  GLN  17           HB3      GLN  17  18.169  -5.662   5.765
    5    HG2  GLN  17           HG2      GLN  17  19.608  -4.934   7.410
    6    HG3  GLN  17           HG3      GLN  17  18.574  -5.488   8.722
    7   HE21  GLN  17          HE21      GLN  17  20.619  -6.479   9.621
    8   HE22  GLN  17          HE22      GLN  17  21.126  -7.983   9.019

  No H/Q in entry =           8
  In of MODEL   64
    1    H    ALA  18           H        ALA  18  16.269  -4.116   4.850
    2    HA   ALA  18           HA       ALA  18  17.700  -1.721   5.076
    3    HB2  ALA  18           HB1      ALA  18  16.582  -2.937   3.010
    4    HB3  ALA  18           HB2      ALA  18  16.843  -1.193   2.994
    5    HB1  ALA  18           HB3      ALA  18  15.246  -1.843   3.366

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ARG  19           H        ARG  19  14.202  -2.316   5.477
    2    HA   ARG  19           HA       ARG  19  13.529   0.332   6.194
    3    HB2  ARG  19           HB2      ARG  19  11.851  -1.422   5.608
    4    HB3  ARG  19           HB3      ARG  19  12.196  -2.220   7.145
    5    HG2  ARG  19           HG2      ARG  19  11.482  -0.231   8.385
    6    HG3  ARG  19           HG3      ARG  19  11.229   0.645   6.877
    7    HD2  ARG  19           HD2      ARG  19   9.090  -0.156   7.700
    8    HD3  ARG  19           HD3      ARG  19   9.509  -1.034   6.223
    9    HE   ARG  19           HE       ARG  19  10.473  -2.575   8.326
   10   HH11  ARG  19          HH11      ARG  19   7.475  -1.288   7.235
   11   HH12  ARG  19          HH12      ARG  19   6.517  -2.536   7.943
   12   HH21  ARG  19          HH21      ARG  19   9.229  -4.218   9.266
   13   HH22  ARG  19          HH22      ARG  19   7.509  -4.194   9.097

  No H/Q in entry =          13
  In of MODEL   64
    1    H    SER  20           H        SER  20  14.395  -2.497   8.151
    2    HA   SER  20           HA       SER  20  14.113  -1.399  10.689
    3    HB2  SER  20           HB2      SER  20  14.585  -3.721  10.570
    4    HB3  SER  20           HB3      SER  20  16.031  -3.457   9.601
    5    HG   SER  20           HG       SER  20  15.682  -2.508  12.254

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  21           H        LEU  21  16.953  -1.330   8.550
    2    HA   LEU  21           HA       LEU  21  18.626   0.159  10.287
    3    HB2  LEU  21           HB2      LEU  21  18.572  -0.113   7.273
    4    HB3  LEU  21           HB3      LEU  21  19.839   0.753   8.141
    5    HG   LEU  21           HG       LEU  21  19.106  -2.124   8.738
    6   HD12  LEU  21          HD11      LEU  21  21.604  -1.432   7.247
    7   HD11  LEU  21          HD12      LEU  21  20.095  -1.458   6.337
    8   HD13  LEU  21          HD13      LEU  21  20.633  -2.902   7.190
    9   HD21  LEU  21          HD21      LEU  21  20.860  -0.165   9.965
   10   HD23  LEU  21          HD22      LEU  21  21.818  -1.510   9.353
   11   HD22  LEU  21          HD23      LEU  21  20.502  -1.810  10.485

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ALA  22           H        ALA  22  16.358   1.124   7.733
    2    HA   ALA  22           HA       ALA  22  16.891   3.883   7.748
    3    HB3  ALA  22           HB1      ALA  22  15.489   2.638   6.071
    4    HB2  ALA  22           HB2      ALA  22  14.780   4.150   6.639
    5    HB1  ALA  22           HB3      ALA  22  14.193   2.609   7.266

  No H/Q in entry =           5
  In of MODEL   64
    1    H    TYR  23           H        TYR  23  14.399   2.061   9.585
    2    HA   TYR  23           HA       TYR  23  13.434   4.296  11.036
    3    HB2  TYR  23           HB2      TYR  23  12.198   2.184  11.018
    4    HB3  TYR  23           HB3      TYR  23  13.535   1.370  11.831
    5    HD1  TYR  23           HD1      TYR  23  11.034   4.114  12.224
    6    HD2  TYR  23           HD2      TYR  23  13.745   1.421  14.188
    7    HE1  TYR  23           HE1      TYR  23  10.121   4.799  14.426
    8    HE2  TYR  23           HE2      TYR  23  12.831   2.106  16.389
    9    HH   TYR  23           HH       TYR  23  10.143   4.435  16.618

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ALA  24           H        ALA  24  16.084   2.025  11.669
    2    HA   ALA  24           HA       ALA  24  16.754   3.020  14.233
    3    HB1  ALA  24           HB1      ALA  24  18.114   1.230  14.066
    4    HB3  ALA  24           HB2      ALA  24  19.139   2.153  12.966
    5    HB2  ALA  24           HB3      ALA  24  17.845   1.143  12.326

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA  25           H        ALA  25  17.707   3.952  10.953
    2    HA   ALA  25           HA       ALA  25  19.650   5.890  11.598
    3    HB1  ALA  25           HB1      ALA  25  18.932   4.941   9.283
    4    HB3  ALA  25           HB2      ALA  25  19.431   6.630   9.376
    5    HB2  ALA  25           HB3      ALA  25  17.717   6.220   9.309

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  26           H        LEU  26  16.134   6.114  11.240
    2    HA   LEU  26           HA       LEU  26  15.907   8.895  11.693
    3    HB2  LEU  26           HB2      LEU  26  14.046   7.657  10.766
    4    HB3  LEU  26           HB3      LEU  26  13.958   6.629  12.191
    5    HG   LEU  26           HG       LEU  26  13.351   8.585  13.572
    6   HD12  LEU  26          HD11      LEU  26  12.686  10.686  12.249
    7   HD11  LEU  26          HD12      LEU  26  13.666  10.034  10.938
    8   HD13  LEU  26          HD13      LEU  26  14.412  10.420  12.490
    9   HD21  LEU  26          HD21      LEU  26  11.673   8.271  11.064
   10   HD23  LEU  26          HD22      LEU  26  11.113   8.968  12.582
   11   HD22  LEU  26          HD23      LEU  26  11.567   7.267  12.510

  No H/Q in entry =          11
  In of MODEL   64
    1    H    LYS  27           H        LYS  27  15.803   6.114  13.884
    2    HA   LYS  27           HA       LYS  27  15.212   7.479  16.254
    3    HB2  LYS  27           HB2      LYS  27  15.241   5.003  15.987
    4    HB3  LYS  27           HB3      LYS  27  17.004   5.057  15.942
    5    HG2  LYS  27           HG2      LYS  27  17.055   6.042  18.192
    6    HG3  LYS  27           HG3      LYS  27  15.288   6.059  18.239
    7    HD2  LYS  27           HD2      LYS  27  15.264   3.592  18.001
    8    HD3  LYS  27           HD3      LYS  27  17.029   3.583  17.988
    9    HE2  LYS  27           HE2      LYS  27  17.064   4.571  20.245
   10    HE3  LYS  27           HE3      LYS  27  15.299   4.610  20.261
   11    HZ3  LYS  27           HZ1      LYS  27  16.089   2.658  21.410
   12    HZ2  LYS  27           HZ2      LYS  27  17.004   2.180  20.058
   13    HZ1  LYS  27           HZ3      LYS  27  15.306   2.184  19.980

  No H/Q in entry =          13
  In of MODEL   64
    1    H    GLN  28           H        GLN  28  18.327   6.899  14.659
    2    HA   GLN  28           HA       GLN  28  20.013   7.982  16.648
    3    HB2  GLN  28           HB2      GLN  28  20.292   7.926  13.632
    4    HB3  GLN  28           HB3      GLN  28  21.580   8.414  14.734
    5    HG2  GLN  28           HG2      GLN  28  20.173   5.730  14.824
    6    HG3  GLN  28           HG3      GLN  28  21.737   6.011  14.060
    7   HE21  GLN  28          HE21      GLN  28  20.538   4.731  16.812
    8   HE22  GLN  28          HE22      GLN  28  21.752   5.173  17.912

  No H/Q in entry =           8
  In of MODEL   64
    1    H    ALA  29           H        ALA  29  18.258   9.466  13.958
    2    HA   ALA  29           HA       ALA  29  19.258  12.086  14.212
    3    HB2  ALA  29           HB1      ALA  29  17.558  12.724  12.742
    4    HB1  ALA  29           HB2      ALA  29  16.414  11.551  13.394
    5    HB3  ALA  29           HB3      ALA  29  17.743  11.009  12.369

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LYS  30           H        LYS  30  16.482  10.487  15.734
    2    HA   LYS  30           HA       LYS  30  15.470  12.740  17.094
    3    HB2  LYS  30           HB2      LYS  30  15.357   9.799  17.796
    4    HB3  LYS  30           HB3      LYS  30  14.493  11.049  18.691
    5    HG2  LYS  30           HG2      LYS  30  13.367  11.737  16.574
    6    HG3  LYS  30           HG3      LYS  30  14.170  10.401  15.746
    7    HD2  LYS  30           HD2      LYS  30  13.098   8.793  17.275
    8    HD3  LYS  30           HD3      LYS  30  12.305  10.119  18.127
    9    HE2  LYS  30           HE2      LYS  30  11.136  10.754  16.036
   10    HE3  LYS  30           HE3      LYS  30  11.908   9.399  15.203
   11    HZ2  LYS  30           HZ1      LYS  30   9.600   8.991  16.085
   12    HZ1  LYS  30           HZ2      LYS  30  10.270   9.043  17.652
   13    HZ3  LYS  30           HZ3      LYS  30  10.776   7.858  16.540

  No H/Q in entry =          13
  In of MODEL   64
    1    H    GLN  31           H        GLN  31  18.130  10.568  17.827
    2    HA   GLN  31           HA       GLN  31  18.461  11.580  20.521
    3    HB2  GLN  31           HB2      GLN  31  20.481  10.008  18.914
    4    HB3  GLN  31           HB3      GLN  31  20.348  10.132  20.668
    5    HG2  GLN  31           HG2      GLN  31  17.833   9.183  19.902
    6    HG3  GLN  31           HG3      GLN  31  18.933   8.338  18.820
    7   HE21  GLN  31          HE21      GLN  31  17.391   7.192  21.097
    8   HE22  GLN  31          HE22      GLN  31  18.547   6.529  22.146

  No H/Q in entry =           8
  In of MODEL   64
    1    H    GLY  32           H        GLY  32  18.979  12.899  17.555
    2    HA3  GLY  32           HA2      GLY  32  19.964  14.943  17.041
    3    HA2  GLY  32           HA3      GLY  32  20.723  14.946  18.628

  No H/Q in entry =           3
  In of MODEL   64
    1    H    ASP  33           H        ASP  33  21.141  12.055  16.849
    2    HA   ASP  33           HA       ASP  33  23.966  12.727  16.381
    3    HB2  ASP  33           HB2      ASP  33  22.455  10.113  16.497
    4    HB3  ASP  33           HB3      ASP  33  24.141  10.228  16.000

  No H/Q in entry =           4
  In of MODEL   64
    1    H    PHE  34           H        PHE  34  23.484  14.052  14.501
    2    HA   PHE  34           HA       PHE  34  22.132  13.071  12.214
    3    HB2  PHE  34           HB2      PHE  34  24.265  15.203  12.443
    4    HB3  PHE  34           HB3      PHE  34  23.278  14.914  11.012
    5    HD1  PHE  34           HD1      PHE  34  23.534  16.846  13.927
    6    HD2  PHE  34           HD2      PHE  34  20.652  14.734  11.543
    7    HE1  PHE  34           HE1      PHE  34  21.719  18.245  14.877
    8    HE2  PHE  34           HE2      PHE  34  18.841  16.133  12.495
    9    HZ   PHE  34           HZ       PHE  34  19.379  17.889  14.158

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ALA  35           H        ALA  35  25.507  12.880  13.218
    2    HA   ALA  35           HA       ALA  35  26.610  12.060  10.760
    3    HB3  ALA  35           HB1      ALA  35  28.291  10.888  12.477
    4    HB2  ALA  35           HB2      ALA  35  27.429  11.913  13.624
    5    HB1  ALA  35           HB3      ALA  35  28.265  12.637  12.251

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA  36           H        ALA  36  25.496  10.103  13.525
    2    HA   ALA  36           HA       ALA  36  25.978   7.616  12.247
    3    HB2  ALA  36           HB1      ALA  36  25.549   6.868  14.323
    4    HB3  ALA  36           HB2      ALA  36  23.861   7.364  14.175
    5    HB1  ALA  36           HB3      ALA  36  25.063   8.495  14.797

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA  37           H        ALA  37  23.157   9.742  12.385
    2    HA   ALA  37           HA       ALA  37  21.299   7.974  11.210
    3    HB3  ALA  37           HB1      ALA  37  21.525  10.936  11.504
    4    HB1  ALA  37           HB2      ALA  37  20.214   9.858  11.977
    5    HB2  ALA  37           HB3      ALA  37  20.401  10.331  10.288

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LYS  38           H        LYS  38  23.397  10.436   9.731
    2    HA   LYS  38           HA       LYS  38  22.754  10.010   7.054
    3    HB2  LYS  38           HB2      LYS  38  24.565  11.566   8.498
    4    HB3  LYS  38           HB3      LYS  38  25.598  10.578   7.471
    5    HG2  LYS  38           HG2      LYS  38  24.431  11.349   5.476
    6    HG3  LYS  38           HG3      LYS  38  23.237  12.203   6.459
    7    HD2  LYS  38           HD2      LYS  38  24.832  13.801   7.211
    8    HD3  LYS  38           HD3      LYS  38  26.192  12.816   6.673
    9    HE2  LYS  38           HE2      LYS  38  25.833  14.688   5.123
   10    HE3  LYS  38           HE3      LYS  38  25.498  13.151   4.318
   11    HZ3  LYS  38           HZ1      LYS  38  23.301  13.595   4.191
   12    HZ2  LYS  38           HZ2      LYS  38  23.822  15.210   4.279
   13    HZ1  LYS  38           HZ3      LYS  38  23.250  14.425   5.671

  No H/Q in entry =          13
  In of MODEL   64
    1    H    ALA  39           H        ALA  39  25.271   8.412   9.006
    2    HA   ALA  39           HA       ALA  39  26.340   6.825   6.935
    3    HB2  ALA  39           HB1      ALA  39  26.254   5.860   9.778
    4    HB1  ALA  39           HB2      ALA  39  27.206   7.287   9.362
    5    HB3  ALA  39           HB3      ALA  39  27.557   5.737   8.597

  No H/Q in entry =           5
  In of MODEL   64
    1    H    MET  40           H        MET  40  23.729   6.206   9.235
    2    HA   MET  40           HA       MET  40  23.288   3.501   8.500
    3    HB2  MET  40           HB2      MET  40  21.471   5.543   9.795
    4    HB3  MET  40           HB3      MET  40  21.066   3.833   9.620
    5    HG2  MET  40           HG2      MET  40  23.616   4.776  10.959
    6    HG3  MET  40           HG3      MET  40  22.123   4.498  11.853
    7    HE3  MET  40           HE1      MET  40  21.563   0.864  12.027
    8    HE2  MET  40           HE2      MET  40  20.692   2.166  11.222
    9    HE1  MET  40           HE3      MET  40  21.434   2.453  12.794

  No H/Q in entry =           9
  In of MODEL   64
    1    H    MET  41           H        MET  41  21.870   6.554   7.316
    2    HA   MET  41           HA       MET  41  19.912   5.358   5.645
    3    HB2  MET  41           HB2      MET  41  21.390   7.950   5.132
    4    HB3  MET  41           HB3      MET  41  19.861   7.455   4.415
    5    HG2  MET  41           HG2      MET  41  19.119   7.264   6.967
    6    HG3  MET  41           HG3      MET  41  20.426   8.423   7.188
    7    HE2  MET  41           HE1      MET  41  19.858   9.712   3.853
    8    HE1  MET  41           HE2      MET  41  20.816  10.152   5.264
    9    HE3  MET  41           HE3      MET  41  19.541  11.230   4.702

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ASP  42           H        ASP  42  23.283   6.285   5.089
    2    HA   ASP  42           HA       ASP  42  23.372   5.813   2.331
    3    HB2  ASP  42           HB2      ASP  42  25.124   6.812   4.099
    4    HB3  ASP  42           HB3      ASP  42  25.783   5.187   3.970

  No H/Q in entry =           4
  In of MODEL   64
    1    H    GLN  43           H        GLN  43  24.102   3.657   5.050
    2    HA   GLN  43           HA       GLN  43  24.768   1.402   3.465
    3    HB2  GLN  43           HB2      GLN  43  23.748   1.582   6.310
    4    HB3  GLN  43           HB3      GLN  43  24.328   0.094   5.553
    5    HG2  GLN  43           HG2      GLN  43  26.490   1.308   5.040
    6    HG3  GLN  43           HG3      GLN  43  25.906   2.634   6.041
    7   HE21  GLN  43          HE21      GLN  43  28.142   1.663   7.075
    8   HE22  GLN  43          HE22      GLN  43  27.870   0.579   8.351

  No H/Q in entry =           8
  In of MODEL   64
    1    H    SER  44           H        SER  44  21.712   2.530   4.854
    2    HA   SER  44           HA       SER  44  20.146   0.285   4.182
    3    HB2  SER  44           HB2      SER  44  19.702   2.813   5.329
    4    HB3  SER  44           HB3      SER  44  18.666   2.769   3.905
    5    HG   SER  44           HG       SER  44  17.576   1.824   5.629

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ARG  45           H        ARG  45  20.882   3.252   2.378
    2    HA   ARG  45           HA       ARG  45  19.355   2.766   0.074
    3    HB2  ARG  45           HB2      ARG  45  20.495   4.903   0.659
    4    HB3  ARG  45           HB3      ARG  45  22.040   4.151   0.271
    5    HG2  ARG  45           HG2      ARG  45  21.255   3.746  -2.043
    6    HG3  ARG  45           HG3      ARG  45  19.722   4.521  -1.654
    7    HD2  ARG  45           HD2      ARG  45  20.970   6.619  -1.070
    8    HD3  ARG  45           HD3      ARG  45  22.467   5.847  -1.641
    9    HE   ARG  45           HE       ARG  45  20.534   5.608  -3.675
   10   HH11  ARG  45          HH11      ARG  45  22.264   8.108  -2.049
   11   HH12  ARG  45          HH12      ARG  45  22.263   9.168  -3.411
   12   HH21  ARG  45          HH21      ARG  45  20.524   6.978  -5.437
   13   HH22  ARG  45          HH22      ARG  45  21.279   8.529  -5.333

  No H/Q in entry =          13
  In of MODEL   64
    1    H    MET  46           H        MET  46  22.721   1.894   0.817
    2    HA   MET  46           HA       MET  46  23.325   0.703  -1.669
    3    HB2  MET  46           HB2      MET  46  24.454   0.208   1.095
    4    HB3  MET  46           HB3      MET  46  25.169  -0.406  -0.399
    5    HG2  MET  46           HG2      MET  46  25.505   1.845  -1.235
    6    HG3  MET  46           HG3      MET  46  24.612   2.528   0.115
    7    HE1  MET  46           HE1      MET  46  27.489   0.792  -1.278
    8    HE3  MET  46           HE2      MET  46  27.836  -0.240   0.101
    9    HE2  MET  46           HE3      MET  46  28.865   1.146  -0.231

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ALA  47           H        ALA  47  21.947  -0.632   1.309
    2    HA   ALA  47           HA       ALA  47  21.893  -3.345   0.505
    3    HB2  ALA  47           HB1      ALA  47  21.518  -2.886   2.810
    4    HB3  ALA  47           HB2      ALA  47  19.981  -3.489   2.193
    5    HB1  ALA  47           HB3      ALA  47  20.210  -1.758   2.452

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  48           H        LEU  48  19.539  -0.719   0.153
    2    HA   LEU  48           HA       LEU  48  17.492  -2.252  -1.095
    3    HB2  LEU  48           HB2      LEU  48  18.146   0.703  -1.209
    4    HB3  LEU  48           HB3      LEU  48  16.674  -0.008  -1.874
    5    HG   LEU  48           HG       LEU  48  17.533  -0.311   1.013
    6   HD13  LEU  48          HD11      LEU  48  17.115   1.990   0.828
    7   HD12  LEU  48          HD12      LEU  48  15.557   1.342   1.340
    8   HD11  LEU  48          HD13      LEU  48  15.825   1.765  -0.351
    9   HD22  LEU  48          HD21      LEU  48  16.004  -2.025   0.635
   10   HD21  LEU  48          HD22      LEU  48  15.127  -1.122  -0.601
   11   HD23  LEU  48          HD23      LEU  48  14.918  -0.718   1.103

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ASN  49           H        ASN  49  20.178  -0.323  -2.330
    2    HA   ASN  49           HA       ASN  49  19.521  -0.406  -5.053
    3    HB2  ASN  49           HB2      ASN  49  21.249   1.089  -4.161
    4    HB3  ASN  49           HB3      ASN  49  22.262  -0.298  -3.765
    5   HD21  ASN  49          HD21      ASN  49  22.969   1.859  -5.651
    6   HD22  ASN  49          HD22      ASN  49  23.172   1.123  -7.167

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLU  50           H        GLU  50  21.509  -2.602  -3.095
    2    HA   GLU  50           HA       GLU  50  22.206  -4.357  -5.223
    3    HB2  GLU  50           HB2      GLU  50  23.408  -4.333  -3.059
    4    HB3  GLU  50           HB3      GLU  50  21.968  -4.960  -2.260
    5    HG2  GLU  50           HG2      GLU  50  22.053  -6.993  -3.619
    6    HG3  GLU  50           HG3      GLU  50  23.427  -6.361  -4.523

  No H/Q in entry =           6
  In of MODEL   64
    1    H    ALA  51           H        ALA  51  19.555  -4.291  -2.890
    2    HA   ALA  51           HA       ALA  51  18.386  -6.764  -3.645
    3    HB3  ALA  51           HB1      ALA  51  16.798  -6.258  -2.086
    4    HB1  ALA  51           HB2      ALA  51  16.584  -4.611  -2.684
    5    HB2  ALA  51           HB3      ALA  51  17.945  -4.998  -1.631

  No H/Q in entry =           5
  In of MODEL   64
    1    H    HIS  52           H        HIS  52  17.799  -3.416  -4.679
    2    HA   HIS  52           HA       HIS  52  15.681  -3.942  -6.473
    3    HB2  HIS  52           HB2      HIS  52  16.350  -1.676  -5.669
    4    HB3  HIS  52           HB3      HIS  52  17.782  -1.774  -6.693
    5    HD1  HIS  52           HD1      HIS  52  17.267  -2.131  -9.336
    6    HD2  HIS  52           HD2      HIS  52  14.068  -0.823  -7.005
    7    HE1  HIS  52           HE1      HIS  52  15.538  -1.215 -10.943
    8    HE2  HIS  52           HE2      HIS  52  13.581  -0.412  -9.538

  No H/Q in entry =           8
  In of MODEL   64
    1    H    LEU  53           H        LEU  53  19.199  -3.948  -6.915
    2    HA   LEU  53           HA       LEU  53  19.249  -4.264  -9.715
    3    HB2  LEU  53           HB2      LEU  53  21.153  -5.031  -7.511
    4    HB3  LEU  53           HB3      LEU  53  21.499  -5.432  -9.191
    5    HG   LEU  53           HG       LEU  53  20.780  -2.621  -8.334
    6   HD12  LEU  53          HD11      LEU  53  23.371  -2.336  -8.578
    7   HD11  LEU  53          HD12      LEU  53  23.416  -4.066  -8.238
    8   HD13  LEU  53          HD13      LEU  53  22.717  -2.954  -7.061
    9   HD21  LEU  53          HD21      LEU  53  21.994  -3.919 -10.777
   10   HD23  LEU  53          HD22      LEU  53  22.286  -2.218 -10.428
   11   HD22  LEU  53          HD23      LEU  53  20.642  -2.791 -10.686

  No H/Q in entry =          11
  In of MODEL   64
    1    H    VAL  54           H        VAL  54  19.143  -6.650  -7.089
    2    HA   VAL  54           HA       VAL  54  19.262  -8.945  -8.748
    3    HB   VAL  54           HB       VAL  54  18.114  -8.521  -5.978
    4   HG12  VAL  54          HG11      VAL  54  18.439 -11.139  -5.974
    5   HG11  VAL  54          HG12      VAL  54  18.250 -10.971  -7.719
    6   HG13  VAL  54          HG13      VAL  54  16.964 -10.440  -6.637
    7   HG22  VAL  54          HG21      VAL  54  20.431  -8.310  -5.761
    8   HG21  VAL  54          HG22      VAL  54  20.765  -9.402  -7.103
    9   HG23  VAL  54          HG23      VAL  54  20.239 -10.049  -5.549

  No H/Q in entry =           9
  In of MODEL   64
    1    H    GLN  55           H        GLN  55  16.536  -7.043  -7.459
    2    HA   GLN  55           HA       GLN  55  14.513  -8.708  -8.527
    3    HB2  GLN  55           HB2      GLN  55  13.768  -7.182  -6.899
    4    HB3  GLN  55           HB3      GLN  55  14.559  -5.814  -7.678
    5    HG2  GLN  55           HG2      GLN  55  12.831  -5.491  -9.163
    6    HG3  GLN  55           HG3      GLN  55  12.509  -7.211  -9.332
    7   HE21  GLN  55          HE21      GLN  55  10.505  -7.761  -8.522
    8   HE22  GLN  55          HE22      GLN  55   9.734  -7.007  -7.212

  No H/Q in entry =           8
  In of MODEL   64
    1    H    THR  56           H        THR  56  16.248  -5.908  -9.892
    2    HA   THR  56           HA       THR  56  14.804  -5.547 -12.237
    3    HB   THR  56           HB       THR  56  17.825  -5.455 -12.061
    4    HG1  THR  56           HG1      THR  56  17.001  -3.100 -11.668
    5   HG23  THR  56          HG21      THR  56  17.772  -4.154 -13.978
    6   HG22  THR  56          HG22      THR  56  16.187  -3.482 -13.595
    7   HG21  THR  56          HG23      THR  56  16.316  -5.107 -14.263

  No H/Q in entry =           7
  In of MODEL   64
    1    H    LYS  57           H        LYS  57  17.457  -7.842 -11.631
    2    HA   LYS  57           HA       LYS  57  17.452  -9.038 -14.209
    3    HB2  LYS  57           HB2      LYS  57  19.262  -9.324 -12.505
    4    HB3  LYS  57           HB3      LYS  57  18.168 -10.356 -11.582
    5    HG2  LYS  57           HG2      LYS  57  17.972 -11.896 -13.476
    6    HG3  LYS  57           HG3      LYS  57  19.000 -10.850 -14.456
    7    HD2  LYS  57           HD2      LYS  57  20.855 -11.180 -12.851
    8    HD3  LYS  57           HD3      LYS  57  19.829 -12.256 -11.900
    9    HE2  LYS  57           HE2      LYS  57  19.532 -13.613 -14.065
   10    HE3  LYS  57           HE3      LYS  57  20.890 -12.681 -14.696
   11    HZ2  LYS  57           HZ1      LYS  57  20.885 -14.838 -12.823
   12    HZ1  LYS  57           HZ2      LYS  57  21.710 -13.481 -12.220
   13    HZ3  LYS  57           HZ3      LYS  57  22.176 -14.174 -13.700

  No H/Q in entry =          13
  In of MODEL   64
    1    H    LEU  58           H        LEU  58  15.680  -9.706 -11.229
    2    HA   LEU  58           HA       LEU  58  14.458 -12.081 -12.159
    3    HB2  LEU  58           HB2      LEU  58  13.667 -10.175  -9.962
    4    HB3  LEU  58           HB3      LEU  58  12.861 -11.714 -10.276
    5    HG   LEU  58           HG       LEU  58  15.835 -11.432  -9.729
    6   HD11  LEU  58          HD11      LEU  58  13.469 -11.852  -7.930
    7   HD13  LEU  58          HD12      LEU  58  14.922 -10.886  -7.672
    8   HD12  LEU  58          HD13      LEU  58  14.997 -12.642  -7.536
    9   HD22  LEU  58          HD21      LEU  58  15.717 -13.495 -10.755
   10   HD21  LEU  58          HD22      LEU  58  14.005 -13.706 -10.390
   11   HD23  LEU  58          HD23      LEU  58  15.217 -14.005  -9.144

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  59           H        ILE  59  13.781  -8.745 -12.842
    2    HA   ILE  59           HA       ILE  59  11.064  -9.398 -13.774
    3    HB   ILE  59           HB       ILE  59  11.837  -7.162 -12.526
    4   HG12  ILE  59          HG12      ILE  59   9.893  -7.025 -14.838
    5   HG13  ILE  59          HG13      ILE  59   9.522  -7.854 -13.334
    6   HG21  ILE  59          HG21      ILE  59  13.406  -6.453 -14.308
    7   HG23  ILE  59          HG22      ILE  59  12.104  -5.313 -14.090
    8   HG22  ILE  59          HG23      ILE  59  12.083  -6.411 -15.460
    9   HD12  ILE  59          HD11      ILE  59  10.083  -4.922 -13.744
   10   HD11  ILE  59          HD12      ILE  59  10.177  -5.671 -12.151
   11   HD13  ILE  59          HD13      ILE  59   8.652  -5.669 -13.035

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLU  60           H        GLU  60  14.263  -8.542 -15.041
    2    HA   GLU  60           HA       GLU  60  13.476  -8.145 -17.748
    3    HB2  GLU  60           HB2      GLU  60  15.675  -7.431 -16.903
    4    HB3  GLU  60           HB3      GLU  60  16.115  -9.107 -16.587
    5    HG2  GLU  60           HG2      GLU  60  15.763  -9.542 -19.083
    6    HG3  GLU  60           HG3      GLU  60  15.644  -7.796 -19.275

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLY  61           H        GLY  61  14.462 -11.024 -15.934
    2    HA3  GLY  61           HA2      GLY  61  13.916 -12.674 -18.333
    3    HA2  GLY  61           HA3      GLY  61  14.953 -13.153 -16.993

  No H/Q in entry =           3
  In of MODEL   64
    1    H    ASP  62           H        ASP  62  11.815 -11.617 -16.605
    2    HA   ASP  62           HA       ASP  62  10.917 -13.566 -14.755
    3    HB2  ASP  62           HB2      ASP  62   8.738 -12.376 -14.953
    4    HB3  ASP  62           HB3      ASP  62  10.097 -11.300 -14.644

  No H/Q in entry =           4
  In of MODEL   64
    1    H    ALA  63           H        ALA  63  11.126 -13.771 -18.091
    2    HA   ALA  63           HA       ALA  63   8.696 -15.299 -18.525
    3    HB3  ALA  63           HB1      ALA  63   9.999 -13.818 -20.234
    4    HB2  ALA  63           HB2      ALA  63   9.291 -15.338 -20.780
    5    HB1  ALA  63           HB3      ALA  63  11.017 -15.244 -20.429

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLY  64           H        GLY  64   8.998 -17.495 -19.693
    2    HA3  GLY  64           HA2      GLY  64  10.701 -19.383 -19.814
    3    HA2  GLY  64           HA3      GLY  64  10.880 -19.121 -18.084

  No H/Q in entry =           3
  In of MODEL   64
    1    H    GLU  65           H        GLU  65   8.494 -18.991 -17.011
    2    HA   GLU  65           HA       GLU  65   7.481 -21.635 -17.169
    3    HB2  GLU  65           HB2      GLU  65   6.372 -19.142 -15.871
    4    HB3  GLU  65           HB3      GLU  65   5.648 -20.740 -15.696
    5    HG2  GLU  65           HG2      GLU  65   7.729 -21.609 -14.742
    6    HG3  GLU  65           HG3      GLU  65   8.509 -20.045 -14.975

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLY  66           H        GLY  66   6.342 -18.555 -18.491
    2    HA3  GLY  66           HA2      GLY  66   4.803 -19.949 -20.505
    3    HA2  GLY  66           HA3      GLY  66   3.817 -19.087 -19.328

  No H/Q in entry =           3
  In of MODEL   64
    1    H    LYS  67           H        LYS  67   3.533 -18.282 -21.842
    2    HA   LYS  67           HA       LYS  67   5.356 -16.304 -22.747
    3    HB2  LYS  67           HB2      LYS  67   2.401 -16.563 -23.355
    4    HB3  LYS  67           HB3      LYS  67   3.591 -15.677 -24.304
    5    HG2  LYS  67           HG2      LYS  67   3.729 -18.658 -23.774
    6    HG3  LYS  67           HG3      LYS  67   3.039 -17.949 -25.232
    7    HD2  LYS  67           HD2      LYS  67   5.287 -16.747 -25.527
    8    HD3  LYS  67           HD3      LYS  67   5.909 -17.842 -24.291
    9    HE2  LYS  67           HE2      LYS  67   5.314 -19.780 -25.626
   10    HE3  LYS  67           HE3      LYS  67   4.524 -18.757 -26.825
   11    HZ3  LYS  67           HZ1      LYS  67   6.497 -18.028 -27.646
   12    HZ2  LYS  67           HZ2      LYS  67   6.991 -19.566 -27.119
   13    HZ1  LYS  67           HZ3      LYS  67   7.318 -18.193 -26.172

  No H/Q in entry =          13
  In of MODEL   64
    1    H    MET  68           H        MET  68   2.001 -15.536 -22.004
    2    HA   MET  68           HA       MET  68   2.570 -12.869 -21.263
    3    HB2  MET  68           HB2      MET  68   0.144 -14.627 -21.097
    4    HB3  MET  68           HB3      MET  68   0.133 -13.011 -20.391
    5    HG2  MET  68           HG2      MET  68   0.927 -13.588 -23.258
    6    HG3  MET  68           HG3      MET  68  -0.694 -13.093 -22.770
    7    HE3  MET  68           HE1      MET  68   2.689 -11.935 -23.969
    8    HE2  MET  68           HE2      MET  68   2.062 -10.340 -24.374
    9    HE1  MET  68           HE3      MET  68   1.167 -11.779 -24.856

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LYS  69           H        LYS  69   1.935 -15.761 -19.295
    2    HA   LYS  69           HA       LYS  69   1.772 -14.321 -16.838
    3    HB2  LYS  69           HB2      LYS  69   2.165 -17.251 -17.436
    4    HB3  LYS  69           HB3      LYS  69   1.960 -16.600 -15.807
    5    HG2  LYS  69           HG2      LYS  69  -0.194 -15.599 -16.472
    6    HG3  LYS  69           HG3      LYS  69   0.005 -16.250 -18.099
    7    HD2  LYS  69           HD2      LYS  69   0.056 -18.545 -17.151
    8    HD3  LYS  69           HD3      LYS  69  -0.222 -17.868 -15.545
    9    HE2  LYS  69           HE2      LYS  69  -2.076 -17.460 -17.909
   10    HE3  LYS  69           HE3      LYS  69  -2.324 -18.671 -16.651
   11    HZ1  LYS  69           HZ1      LYS  69  -1.820 -15.995 -15.681
   12    HZ3  LYS  69           HZ2      LYS  69  -2.977 -17.134 -15.181
   13    HZ2  LYS  69           HZ3      LYS  69  -3.269 -16.166 -16.547

  No H/Q in entry =          13
  In of MODEL   64
    1    H    VAL  70           H        VAL  70   3.164 -14.313 -15.083
    2    HA   VAL  70           HA       VAL  70   6.018 -14.848 -15.633
    3    HB   VAL  70           HB       VAL  70   6.563 -12.740 -14.450
    4   HG12  VAL  70          HG11      VAL  70   5.821 -11.206 -16.264
    5   HG11  VAL  70          HG12      VAL  70   4.701 -12.446 -16.827
    6   HG13  VAL  70          HG13      VAL  70   6.440 -12.731 -16.898
    7   HG22  VAL  70          HG21      VAL  70   4.761 -11.114 -14.024
    8   HG21  VAL  70          HG22      VAL  70   4.483 -12.600 -13.115
    9   HG23  VAL  70          HG23      VAL  70   3.566 -12.282 -14.588

  No H/Q in entry =           9
  In of MODEL   64
    1    H    SER  71           H        SER  71   7.302 -14.678 -13.472
    2    HA   SER  71           HA       SER  71   6.325 -16.615 -11.677
    3    HB2  SER  71           HB2      SER  71   8.732 -15.993 -11.950
    4    HB3  SER  71           HB3      SER  71   8.401 -14.484 -11.103
    5    HG   SER  71           HG       SER  71   7.491 -15.968  -9.423

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  72           H        LEU  72   4.971 -16.491  -9.973
    2    HA   LEU  72           HA       LEU  72   3.420 -14.179  -9.525
    3    HB2  LEU  72           HB2      LEU  72   3.734 -16.739  -7.963
    4    HB3  LEU  72           HB3      LEU  72   2.562 -15.492  -7.543
    5    HG   LEU  72           HG       LEU  72   2.729 -16.775 -10.283
    6   HD12  LEU  72          HD11      LEU  72   0.749 -17.387  -8.074
    7   HD11  LEU  72          HD12      LEU  72   2.157 -18.389  -8.423
    8   HD13  LEU  72          HD13      LEU  72   0.891 -18.194  -9.636
    9   HD22  LEU  72          HD21      LEU  72   1.528 -14.819 -10.616
   10   HD21  LEU  72          HD22      LEU  72   0.953 -14.760  -8.950
   11   HD23  LEU  72          HD23      LEU  72   0.218 -15.877 -10.098

  No H/Q in entry =          11
  In of MODEL   64
    1    H    VAL  73           H        VAL  73   6.081 -15.613  -7.757
    2    HA   VAL  73           HA       VAL  73   6.023 -14.080  -5.425
    3    HB   VAL  73           HB       VAL  73   8.233 -14.864  -5.020
    4   HG11  VAL  73          HG11      VAL  73   6.727 -16.870  -6.726
    5   HG13  VAL  73          HG12      VAL  73   6.514 -16.611  -4.995
    6   HG12  VAL  73          HG13      VAL  73   8.031 -17.268  -5.608
    7   HG22  VAL  73          HG21      VAL  73   9.503 -14.308  -6.900
    8   HG21  VAL  73          HG22      VAL  73   8.340 -15.017  -8.019
    9   HG23  VAL  73          HG23      VAL  73   9.387 -16.061  -7.058

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LEU  74           H        LEU  74   7.022 -13.172  -8.614
    2    HA   LEU  74           HA       LEU  74   8.960 -11.249  -8.143
    3    HB2  LEU  74           HB2      LEU  74   8.298 -11.933 -10.368
    4    HB3  LEU  74           HB3      LEU  74   6.669 -11.316 -10.118
    5    HG   LEU  74           HG       LEU  74   7.584  -9.025  -9.923
    6   HD13  LEU  74          HD11      LEU  74   9.777  -9.285  -9.114
    7   HD12  LEU  74          HD12      LEU  74  10.033  -8.838 -10.799
    8   HD11  LEU  74          HD13      LEU  74  10.174 -10.524 -10.302
    9   HD22  LEU  74          HD21      LEU  74   7.723  -8.729 -12.247
   10   HD21  LEU  74          HD22      LEU  74   7.005 -10.327 -12.164
   11   HD23  LEU  74          HD23      LEU  74   8.731 -10.159 -12.459

  No H/Q in entry =          11
  In of MODEL   64
    1    H    VAL  75           H        VAL  75   5.487 -11.025  -7.842
    2    HA   VAL  75           HA       VAL  75   5.375  -8.230  -7.296
    3    HB   VAL  75           HB       VAL  75   3.450 -10.462  -6.581
    4   HG12  VAL  75          HG11      VAL  75   1.898  -8.280  -6.666
    5   HG11  VAL  75          HG12      VAL  75   3.398  -7.508  -6.151
    6   HG13  VAL  75          HG13      VAL  75   2.693  -8.800  -5.180
    7   HG22  VAL  75          HG21      VAL  75   3.671 -10.279  -8.980
    8   HG21  VAL  75          HG22      VAL  75   3.617  -8.518  -8.909
    9   HG23  VAL  75          HG23      VAL  75   2.174  -9.459  -8.538

  No H/Q in entry =           9
  In of MODEL   64
    1    H    HIS  76           H        HIS  76   5.562 -11.184  -5.133
    2    HA   HIS  76           HA       HIS  76   5.294  -9.936  -2.650
    3    HB2  HIS  76           HB2      HIS  76   5.462 -12.429  -3.100
    4    HB3  HIS  76           HB3      HIS  76   7.211 -12.207  -3.192
    5    HD1  HIS  76           HD1      HIS  76   7.777 -13.409  -0.997
    6    HD2  HIS  76           HD2      HIS  76   5.040 -10.305  -0.492
    7    HE1  HIS  76           HE1      HIS  76   7.551 -13.052   1.500

  No H/Q in entry =           7
  In of MODEL   64
    1    H    ALA  77           H        ALA  77   8.206 -10.421  -4.638
    2    HA   ALA  77           HA       ALA  77   9.961  -9.137  -2.776
    3    HB2  ALA  77           HB1      ALA  77  10.158 -10.017  -5.635
    4    HB1  ALA  77           HB2      ALA  77  11.109 -10.526  -4.240
    5    HB3  ALA  77           HB3      ALA  77  11.398  -8.950  -4.975

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLN  78           H        GLN  78   8.183  -8.077  -5.659
    2    HA   GLN  78           HA       GLN  78   9.285  -5.475  -5.799
    3    HB2  GLN  78           HB2      GLN  78   7.896  -6.735  -7.556
    4    HB3  GLN  78           HB3      GLN  78   6.482  -6.212  -6.642
    5    HG2  GLN  78           HG2      GLN  78   7.229  -3.859  -6.877
    6    HG3  GLN  78           HG3      GLN  78   8.587  -4.406  -7.859
    7   HE21  GLN  78          HE21      GLN  78   6.647  -6.592  -8.966
    8   HE22  GLN  78          HE22      GLN  78   5.760  -5.753 -10.146

  No H/Q in entry =           8
  In of MODEL   64
    1    H    LEU  79           H        LEU  79   6.325  -6.716  -4.272
    2    HA   LEU  79           HA       LEU  79   5.330  -4.309  -3.262
    3    HB2  LEU  79           HB2      LEU  79   4.017  -6.362  -3.205
    4    HB3  LEU  79           HB3      LEU  79   5.163  -7.100  -2.091
    5    HG   LEU  79           HG       LEU  79   4.610  -5.459  -0.363
    6   HD13  LEU  79          HD11      LEU  79   4.143  -3.444  -1.414
    7   HD12  LEU  79          HD12      LEU  79   2.518  -3.971  -0.974
    8   HD11  LEU  79          HD13      LEU  79   3.098  -4.193  -2.623
    9   HD23  LEU  79          HD21      LEU  79   2.024  -5.952  -0.272
   10   HD22  LEU  79          HD22      LEU  79   3.164  -7.291  -0.164
   11   HD21  LEU  79          HD23      LEU  79   2.350  -6.954  -1.689

  No H/Q in entry =          11
  In of MODEL   64
    1    H    HIS  80           H        HIS  80   7.514  -6.644  -1.680
    2    HA   HIS  80           HA       HIS  80   7.802  -5.102   0.689
    3    HB2  HIS  80           HB2      HIS  80   9.175  -7.449  -0.518
    4    HB3  HIS  80           HB3      HIS  80  10.036  -6.564   0.742
    5    HD1  HIS  80           HD1      HIS  80   9.391  -7.076   3.092
    6    HD2  HIS  80           HD2      HIS  80   6.440  -8.256   0.394
    7    HE1  HIS  80           HE1      HIS  80   7.606  -8.267   4.452
    8    HE2  HIS  80           HE2      HIS  80   5.801  -8.991   2.816

  No H/Q in entry =           8
  In of MODEL   64
    1    H    LEU  81           H        LEU  81   9.807  -5.378  -2.223
    2    HA   LEU  81           HA       LEU  81  11.852  -3.637  -1.345
    3    HB2  LEU  81           HB2      LEU  81  10.931  -4.429  -4.108
    4    HB3  LEU  81           HB3      LEU  81  12.351  -3.423  -3.817
    5    HG   LEU  81           HG       LEU  81  11.958  -6.144  -2.544
    6   HD12  LEU  81          HD11      LEU  81  13.774  -6.771  -4.294
    7   HD11  LEU  81          HD12      LEU  81  13.208  -5.347  -5.165
    8   HD13  LEU  81          HD13      LEU  81  12.096  -6.671  -4.827
    9   HD23  LEU  81          HD21      LEU  81  14.586  -5.830  -2.530
   10   HD22  LEU  81          HD22      LEU  81  13.604  -5.069  -1.279
   11   HD21  LEU  81          HD23      LEU  81  14.183  -4.117  -2.646

  No H/Q in entry =          11
  In of MODEL   64
    1    H    MET  82           H        MET  82   8.929  -2.999  -3.282
    2    HA   MET  82           HA       MET  82   9.470  -0.274  -3.782
    3    HB2  MET  82           HB2      MET  82   6.910  -1.866  -3.658
    4    HB3  MET  82           HB3      MET  82   6.911  -0.142  -4.022
    5    HG2  MET  82           HG2      MET  82   8.510  -2.216  -5.557
    6    HG3  MET  82           HG3      MET  82   6.943  -1.593  -6.070
    7    HE3  MET  82           HE1      MET  82   7.394   1.862  -7.241
    8    HE2  MET  82           HE2      MET  82   7.019   1.636  -5.535
    9    HE1  MET  82           HE3      MET  82   6.353   0.527  -6.729

  No H/Q in entry =           9
  In of MODEL   64
    1    H    THR  83           H        THR  83   7.677  -1.871  -1.177
    2    HA   THR  83           HA       THR  83   6.828   0.478   0.149
    3    HB   THR  83           HB       THR  83   6.692  -1.097   2.167
    4    HG1  THR  83           HG1      THR  83   7.447  -3.047   1.937
    5   HG22  THR  83          HG21      THR  83   5.038  -2.661   0.698
    6   HG21  THR  83          HG22      THR  83   5.265  -1.333  -0.433
    7   HG23  THR  83          HG23      THR  83   4.625  -1.017   1.180

  No H/Q in entry =           7
  In of MODEL   64
    1    H    SER  84           H        SER  84   9.649  -1.623   0.670
    2    HA   SER  84           HA       SER  84  10.710  -0.193   2.859
    3    HB2  SER  84           HB2      SER  84  11.962  -2.037   0.834
    4    HB3  SER  84           HB3      SER  84  12.909  -1.285   2.116
    5    HG   SER  84           HG       SER  84  10.632  -2.972   2.375

  No H/Q in entry =           5
  In of MODEL   64
    1    H    MET  85           H        MET  85  11.464   0.067  -0.629
    2    HA   MET  85           HA       MET  85  13.464   2.030  -0.378
    3    HB2  MET  85           HB2      MET  85  12.974   0.706  -2.442
    4    HB3  MET  85           HB3      MET  85  11.543   1.706  -2.687
    5    HG2  MET  85           HG2      MET  85  12.861   3.691  -2.942
    6    HG3  MET  85           HG3      MET  85  14.317   2.874  -2.377
    7    HE2  MET  85           HE1      MET  85  11.984   3.722  -5.256
    8    HE1  MET  85           HE2      MET  85  11.409   2.092  -4.914
    9    HE3  MET  85           HE3      MET  85  12.218   2.430  -6.441

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LEU  86           H        LEU  86   9.975   2.369  -0.887
    2    HA   LEU  86           HA       LEU  86   9.915   5.182  -1.069
    3    HB2  LEU  86           HB2      LEU  86   8.069   3.525  -1.645
    4    HB3  LEU  86           HB3      LEU  86   7.738   3.436   0.085
    5    HG   LEU  86           HG       LEU  86   7.581   5.997   0.033
    6   HD11  LEU  86          HD11      LEU  86   8.357   5.560  -2.669
    7   HD13  LEU  86          HD12      LEU  86   7.923   7.088  -1.908
    8   HD12  LEU  86          HD13      LEU  86   6.685   6.127  -2.714
    9   HD23  LEU  86          HD21      LEU  86   5.446   4.648  -1.630
   10   HD22  LEU  86          HD22      LEU  86   5.257   5.908  -0.414
   11   HD21  LEU  86          HD23      LEU  86   5.654   4.263   0.079

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ALA  87           H        ALA  87   9.445   3.004   1.677
    2    HA   ALA  87           HA       ALA  87   8.899   4.919   3.647
    3    HB1  ALA  87           HB1      ALA  87   9.702   2.098   3.560
    4    HB3  ALA  87           HB2      ALA  87   8.578   2.911   4.646
    5    HB2  ALA  87           HB3      ALA  87  10.307   2.940   4.990

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ARG  88           H        ARG  88  11.981   3.490   2.666
    2    HA   ARG  88           HA       ARG  88  13.592   4.865   4.499
    3    HB2  ARG  88           HB2      ARG  88  14.256   2.890   3.095
    4    HB3  ARG  88           HB3      ARG  88  14.411   3.983   1.722
    5    HG2  ARG  88           HG2      ARG  88  15.886   5.294   3.669
    6    HG3  ARG  88           HG3      ARG  88  16.204   3.604   4.047
    7    HD2  ARG  88           HD2      ARG  88  17.470   3.306   2.201
    8    HD3  ARG  88           HD3      ARG  88  16.335   4.179   1.168
    9    HE   ARG  88           HE       ARG  88  18.731   5.239   2.215
   10   HH11  ARG  88          HH11      ARG  88  15.393   5.998   1.937
   11   HH12  ARG  88          HH12      ARG  88  15.642   7.702   1.806
   12   HH21  ARG  88          HH21      ARG  88  19.080   7.457   2.021
   13   HH22  ARG  88          HH22      ARG  88  17.731   8.531   1.878

  No H/Q in entry =          13
  In of MODEL   64
    1    H    GLU  89           H        GLU  89  12.620   5.765   1.176
    2    HA   GLU  89           HA       GLU  89  14.171   8.122   1.019
    3    HB2  GLU  89           HB2      GLU  89  13.025   7.083  -0.929
    4    HB3  GLU  89           HB3      GLU  89  11.481   7.627  -0.270
    5    HG2  GLU  89           HG2      GLU  89  12.187   9.963  -0.433
    6    HG3  GLU  89           HG3      GLU  89  13.790   9.470  -0.970

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LEU  90           H        LEU  90  10.841   7.618   2.149
    2    HA   LEU  90           HA       LEU  90  10.331  10.352   2.725
    3    HB2  LEU  90           HB2      LEU  90   9.132   7.781   3.752
    4    HB3  LEU  90           HB3      LEU  90   8.504   9.377   4.175
    5    HG   LEU  90           HG       LEU  90   8.920   8.497   1.306
    6   HD12  LEU  90          HD11      LEU  90   6.386   8.172   1.369
    7   HD11  LEU  90          HD12      LEU  90   6.541   8.161   3.126
    8   HD13  LEU  90          HD13      LEU  90   7.357   6.930   2.161
    9   HD22  LEU  90          HD21      LEU  90   8.630  10.805   1.233
   10   HD21  LEU  90          HD22      LEU  90   7.644  10.839   2.693
   11   HD23  LEU  90          HD23      LEU  90   6.945  10.285   1.172

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  91           H        ILE  91  11.590   7.669   4.647
    2    HA   ILE  91           HA       ILE  91  11.733   9.033   7.115
    3    HB   ILE  91           HB       ILE  91  13.283   6.692   5.991
    4   HG12  ILE  91          HG12      ILE  91  11.267   6.862   8.251
    5   HG13  ILE  91          HG13      ILE  91  10.796   6.582   6.575
    6   HG22  ILE  91          HG21      ILE  91  13.753   6.477   8.631
    7   HG21  ILE  91          HG22      ILE  91  13.680   8.236   8.530
    8   HG23  ILE  91          HG23      ILE  91  14.857   7.346   7.565
    9   HD13  ILE  91          HD11      ILE  91  11.795   4.479   6.504
   10   HD12  ILE  91          HD12      ILE  91  11.202   4.538   8.164
   11   HD11  ILE  91          HD13      ILE  91  12.904   4.848   7.826

  No H/Q in entry =          11
  In of MODEL   64
    1    H    THR  92           H        THR  92  13.949   8.861   4.363
    2    HA   THR  92           HA       THR  92  16.117  10.250   5.522
    3    HB   THR  92           HB       THR  92  15.130  10.127   2.661
    4    HG1  THR  92           HG1      THR  92  15.958   8.229   3.066
    5   HG22  THR  92          HG21      THR  92  17.701  10.813   2.367
    6   HG21  THR  92          HG22      THR  92  17.394  11.635   3.897
    7   HG23  THR  92          HG23      THR  92  16.424  12.024   2.477

  No H/Q in entry =           7
  In of MODEL   64
    1    H    GLU  93           H        GLU  93  13.231  11.408   3.794
    2    HA   GLU  93           HA       GLU  93  13.830  14.168   3.908
    3    HB2  GLU  93           HB2      GLU  93  11.124  12.800   3.923
    4    HB3  GLU  93           HB3      GLU  93  11.414  14.499   3.552
    5    HG2  GLU  93           HG2      GLU  93  12.748  12.255   2.023
    6    HG3  GLU  93           HG3      GLU  93  11.202  12.940   1.536

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LEU  94           H        LEU  94  12.085  12.014   6.120
    2    HA   LEU  94           HA       LEU  94  11.279  13.962   7.997
    3    HB2  LEU  94           HB2      LEU  94  11.850  11.006   8.270
    4    HB3  LEU  94           HB3      LEU  94  11.281  11.982   9.621
    5    HG   LEU  94           HG       LEU  94   9.796  12.036   6.992
    6   HD11  LEU  94          HD11      LEU  94   9.876   9.815   8.996
    7   HD13  LEU  94          HD12      LEU  94   9.573   9.754   7.262
    8   HD12  LEU  94          HD13      LEU  94   8.296  10.273   8.360
    9   HD23  LEU  94          HD21      LEU  94   7.877  12.439   8.593
   10   HD22  LEU  94          HD22      LEU  94   9.118  13.691   8.630
   11   HD21  LEU  94          HD23      LEU  94   9.054  12.474   9.904

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  95           H        ILE  95  14.250  12.028   7.758
    2    HA   ILE  95           HA       ILE  95  15.420  12.947  10.172
    3    HB   ILE  95           HB       ILE  95  16.656  11.877   7.623
    4   HG12  ILE  95          HG12      ILE  95  16.360  10.676  10.390
    5   HG13  ILE  95          HG13      ILE  95  15.192  10.420   9.096
    6   HG21  ILE  95          HG21      ILE  95  17.914  12.681  10.265
    7   HG23  ILE  95          HG22      ILE  95  18.376  13.209   8.645
    8   HG22  ILE  95          HG23      ILE  95  18.680  11.548   9.153
    9   HD13  ILE  95          HD11      ILE  95  16.669   9.139   7.832
   10   HD12  ILE  95          HD12      ILE  95  17.142   8.689   9.467
   11   HD11  ILE  95          HD13      ILE  95  18.097   9.867   8.568

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLU  96           H        GLU  96  15.575  14.181   6.837
    2    HA   GLU  96           HA       GLU  96  17.425  16.257   7.314
    3    HB2  GLU  96           HB2      GLU  96  16.758  15.596   5.055
    4    HB3  GLU  96           HB3      GLU  96  15.116  16.155   5.356
    5    HG2  GLU  96           HG2      GLU  96  15.685  18.284   4.814
    6    HG3  GLU  96           HG3      GLU  96  16.985  18.282   5.995

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LEU  97           H        LEU  97  13.913  16.075   7.745
    2    HA   LEU  97           HA       LEU  97  13.502  18.810   8.388
    3    HB2  LEU  97           HB2      LEU  97  11.980  16.286   9.002
    4    HB3  LEU  97           HB3      LEU  97  11.470  17.834   9.674
    5    HG   LEU  97           HG       LEU  97  11.950  17.418   6.709
    6   HD12  LEU  97          HD11      LEU  97   9.427  17.294   6.592
    7   HD11  LEU  97          HD12      LEU  97   9.421  17.094   8.342
    8   HD13  LEU  97          HD13      LEU  97  10.199  15.885   7.320
    9   HD23  LEU  97          HD21      LEU  97  10.216  19.385   6.743
   10   HD22  LEU  97          HD22      LEU  97  11.898  19.741   7.134
   11   HD21  LEU  97          HD23      LEU  97  10.710  19.573   8.425

  No H/Q in entry =          11
  In of MODEL   64
    1    H    HIS  98           H        HIS  98  14.320  15.982  10.382
    2    HA   HIS  98           HA       HIS  98  14.166  17.242  12.898
    3    HB2  HIS  98           HB2      HIS  98  15.911  14.982  11.895
    4    HB3  HIS  98           HB3      HIS  98  15.912  15.520  13.576
    5    HD1  HIS  98           HD1      HIS  98  13.708  13.895  10.985
    6    HD2  HIS  98           HD2      HIS  98  13.605  14.814  15.050
    7    HE1  HIS  98           HE1      HIS  98  11.682  12.704  11.939
    8    HE2  HIS  98           HE2      HIS  98  11.599  13.255  14.410

  No H/Q in entry =           8
  In of MODEL   64
    1    H    GLU  99           H        GLU  99  16.718  17.123  10.462
    2    HA   GLU  99           HA       GLU  99  18.707  18.451  11.990
    3    HB2  GLU  99           HB2      GLU  99  19.182  17.163   9.920
    4    HB3  GLU  99           HB3      GLU  99  18.374  18.420   8.980
    5    HG2  GLU  99           HG2      GLU  99  19.986  20.087   9.770
    6    HG3  GLU  99           HG3      GLU  99  20.763  18.883  10.792

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LYS 100           H        LYS 100  16.183  19.619   9.776
    2    HA   LYS 100           HA       LYS 100  16.986  22.354   9.920
    3    HB2  LYS 100           HB2      LYS 100  14.350  21.071   9.167
    4    HB3  LYS 100           HB3      LYS 100  14.653  22.809   9.076
    5    HG2  LYS 100           HG2      LYS 100  16.624  22.356   7.608
    6    HG3  LYS 100           HG3      LYS 100  16.207  20.640   7.626
    7    HD2  LYS 100           HD2      LYS 100  14.012  21.154   6.627
    8    HD3  LYS 100           HD3      LYS 100  14.412  22.873   6.617
    9    HE2  LYS 100           HE2      LYS 100  16.369  22.388   5.156
   10    HE3  LYS 100           HE3      LYS 100  15.900  20.685   5.122
   11    HZ1  LYS 100           HZ1      LYS 100  14.079  22.882   4.289
   12    HZ3  LYS 100           HZ2      LYS 100  13.891  21.213   4.027
   13    HZ2  LYS 100           HZ3      LYS 100  15.103  22.072   3.205

  No H/Q in entry =          13
  In of MODEL   64
    1    H    LEU 101           H        LEU 101  14.886  20.312  11.886
    2    HA   LEU 101           HA       LEU 101  13.726  22.382  13.466
    3    HB2  LEU 101           HB2      LEU 101  14.161  19.431  13.848
    4    HB3  LEU 101           HB3      LEU 101  13.629  20.412  15.210
    5    HG   LEU 101           HG       LEU 101  12.209  20.505  12.542
    6   HD12  LEU 101          HD11      LEU 101  10.547  18.944  13.812
    7   HD11  LEU 101          HD12      LEU 101  11.941  18.528  14.805
    8   HD13  LEU 101          HD13      LEU 101  11.973  18.222  13.068
    9   HD21  LEU 101          HD21      LEU 101  11.556  21.298  15.395
   10   HD23  LEU 101          HD22      LEU 101  10.293  21.076  14.186
   11   HD22  LEU 101          HD23      LEU 101  11.531  22.308  13.947

  No H/Q in entry =          11
  In of MODEL   64
    1    H    LYS 102           H        LYS 102  16.871  21.767  13.027
    2    HA   LYS 102           HA       LYS 102  18.721  22.633  14.098
    3    HB2  LYS 102           HB2      LYS 102  16.911  24.152  15.233
    4    HB3  LYS 102           HB3      LYS 102  17.117  23.089  16.610
    5    HG2  LYS 102           HG2      LYS 102  19.014  25.095  15.440
    6    HG3  LYS 102           HG3      LYS 102  18.632  24.781  17.119
    7    HD2  LYS 102           HD2      LYS 102  20.293  22.866  15.431
    8    HD3  LYS 102           HD3      LYS 102  20.987  24.186  16.364
    9    HE2  LYS 102           HE2      LYS 102  20.583  21.637  17.332
   10    HE3  LYS 102           HE3      LYS 102  20.806  23.078  18.323
   11    HZ2  LYS 102           HZ1      LYS 102  18.835  21.799  18.942
   12    HZ1  LYS 102           HZ2      LYS 102  18.190  22.031  17.394
   13    HZ3  LYS 102           HZ3      LYS 102  18.424  23.360  18.420

  No H/Q in entry =          13
  In of MODEL   64
    1    H    ALA 103           H        ALA 103  16.647  21.032  16.521
    2    HA   ALA 103           HA       ALA 103  18.372  19.816  18.174
    3    HB2  ALA 103           HB1      ALA 103  16.783  17.813  18.169
    4    HB1  ALA 103           HB2      ALA 103  15.889  18.669  16.912
    5    HB3  ALA 103           HB3      ALA 103  16.070  19.389  18.511

  No H/Q in entry =           5
  In of MODEL   64
    1    H1   ALA   1           H3       ALA   1  -1.657  -6.970 -21.441
    2    H2   ALA   1           H2       ALA   1  -2.455  -8.403 -20.988
    3    H3   ALA   1           H1       ALA   1  -0.848  -8.458 -21.544
    4    HA   ALA   1           HA       ALA   1  -1.685  -8.924 -23.540
    5    HB1  ALA   1           HB1      ALA   1  -3.824  -9.636 -23.066
    6    HB2  ALA   1           HB2      ALA   1  -4.259  -8.123 -23.862
    7    HB3  ALA   1           HB3      ALA   1  -4.197  -8.205 -22.103

  No H/Q in entry =           7
  In of MODEL   64
    1    H    GLU   2           H        GLU   2  -2.513  -7.730 -25.528
    2    HA   GLU   2           HA       GLU   2  -1.108  -5.720 -26.406
    3    HB2  GLU   2           HB2      GLU   2  -4.116  -5.777 -26.722
    4    HB3  GLU   2           HB3      GLU   2  -2.993  -4.917 -27.771
    5    HG2  GLU   2           HG2      GLU   2  -2.497  -6.808 -28.928
    6    HG3  GLU   2           HG3      GLU   2  -2.201  -7.715 -27.451

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLU   3           H        GLU   3  -4.264  -4.454 -25.503
    2    HA   GLU   3           HA       GLU   3  -3.210  -1.901 -24.874
    3    HB2  GLU   3           HB2      GLU   3  -5.901  -3.208 -24.541
    4    HB3  GLU   3           HB3      GLU   3  -5.598  -1.594 -23.894
    5    HG2  GLU   3           HG2      GLU   3  -5.240  -0.667 -26.020
    6    HG3  GLU   3           HG3      GLU   3  -4.851  -2.223 -26.745

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LEU   4           H        LEU   4  -4.806  -4.256 -22.695
    2    HA   LEU   4           HA       LEU   4  -4.437  -3.031 -20.303
    3    HB2  LEU   4           HB2      LEU   4  -3.903  -5.974 -20.775
    4    HB3  LEU   4           HB3      LEU   4  -4.305  -5.227 -19.230
    5    HG   LEU   4           HG       LEU   4  -6.080  -5.294 -21.693
    6   HD13  LEU   4          HD11      LEU   4  -7.278  -7.008 -20.696
    7   HD12  LEU   4          HD12      LEU   4  -6.790  -6.551 -19.064
    8   HD11  LEU   4          HD13      LEU   4  -5.658  -7.397 -20.117
    9   HD23  LEU   4          HD21      LEU   4  -7.761  -4.478 -19.824
   10   HD22  LEU   4          HD22      LEU   4  -6.719  -3.310 -20.634
   11   HD21  LEU   4          HD23      LEU   4  -6.294  -3.902 -19.029

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLU   5           H        GLU   5  -1.945  -4.880 -22.036
    2    HA   GLU   5           HA       GLU   5   0.041  -4.604 -20.001
    3    HB2  GLU   5           HB2      GLU   5   0.086  -6.376 -21.754
    4    HB3  GLU   5           HB3      GLU   5   0.445  -5.134 -22.952
    5    HG2  GLU   5           HG2      GLU   5   2.546  -6.098 -22.274
    6    HG3  GLU   5           HG3      GLU   5   2.453  -4.492 -21.558

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLU   6           H        GLU   6  -0.591  -2.887 -23.044
    2    HA   GLU   6           HA       GLU   6   1.585  -1.062 -22.776
    3    HB2  GLU   6           HB2      GLU   6   0.121  -1.707 -24.860
    4    HB3  GLU   6           HB3      GLU   6  -0.919  -0.402 -24.292
    5    HG2  GLU   6           HG2      GLU   6   0.815   1.216 -24.515
    6    HG3  GLU   6           HG3      GLU   6   2.059  -0.021 -24.687

  No H/Q in entry =           6
  In of MODEL   64
    1    H    VAL   7           H        VAL   7  -1.753  -1.124 -21.729
    2    HA   VAL   7           HA       VAL   7  -1.966   1.589 -20.891
    3    HB   VAL   7           HB       VAL   7  -3.435  -0.924 -20.056
    4   HG11  VAL   7          HG11      VAL   7  -3.801   1.965 -19.239
    5   HG13  VAL   7          HG12      VAL   7  -3.705   0.539 -18.205
    6   HG12  VAL   7          HG13      VAL   7  -5.137   0.814 -19.197
    7   HG21  VAL   7          HG21      VAL   7  -3.590   0.154 -22.443
    8   HG23  VAL   7          HG22      VAL   7  -4.531   1.405 -21.630
    9   HG22  VAL   7          HG23      VAL   7  -5.082  -0.271 -21.604

  No H/Q in entry =           9
  In of MODEL   64
    1    H    VAL   8           H        VAL   8  -0.987  -1.400 -19.250
    2    HA   VAL   8           HA       VAL   8  -0.663  -0.323 -16.654
    3    HB   VAL   8           HB       VAL   8   0.667  -2.656 -18.054
    4   HG12  VAL   8          HG11      VAL   8   0.915  -3.133 -15.343
    5   HG11  VAL   8          HG12      VAL   8   1.246  -1.406 -15.442
    6   HG13  VAL   8          HG13      VAL   8   2.208  -2.543 -16.385
    7   HG23  VAL   8          HG21      VAL   8  -1.106  -3.206 -15.782
    8   HG22  VAL   8          HG22      VAL   8  -1.160  -3.850 -17.420
    9   HG21  VAL   8          HG23      VAL   8  -1.937  -2.312 -17.055

  No H/Q in entry =           9
  In of MODEL   64
    1    H    MET   9           H        MET   9   1.583  -0.630 -19.403
    2    HA   MET   9           HA       MET   9   3.873   0.405 -18.143
    3    HB2  MET   9           HB2      MET   9   2.884   0.430 -20.999
    4    HB3  MET   9           HB3      MET   9   4.422   1.172 -20.554
    5    HG2  MET   9           HG2      MET   9   5.232  -0.945 -19.659
    6    HG3  MET   9           HG3      MET   9   3.667  -1.703 -19.955
    7    HE1  MET   9           HE1      MET   9   6.566   0.130 -21.167
    8    HE3  MET   9           HE2      MET   9   5.755   0.793 -22.584
    9    HE2  MET   9           HE3      MET   9   6.963  -0.474 -22.781

  No H/Q in entry =           9
  In of MODEL   64
    1    H    GLY  10           H        GLY  10   1.194   2.018 -19.817
    2    HA3  GLY  10           HA2      GLY  10   2.167   4.668 -19.572
    3    HA2  GLY  10           HA3      GLY  10   0.476   4.214 -19.775

  No H/Q in entry =           3
  In of MODEL   64
    1    H    LEU  11           H        LEU  11   0.073   2.687 -17.490
    2    HA   LEU  11           HA       LEU  11  -0.448   4.664 -15.528
    3    HB2  LEU  11           HB2      LEU  11  -0.393   1.648 -15.375
    4    HB3  LEU  11           HB3      LEU  11  -0.896   2.672 -14.031
    5    HG   LEU  11           HG       LEU  11  -2.137   2.793 -16.793
    6   HD13  LEU  11          HD11      LEU  11  -2.729   0.652 -16.039
    7   HD12  LEU  11          HD12      LEU  11  -4.075   1.649 -15.491
    8   HD11  LEU  11          HD13      LEU  11  -2.820   1.163 -14.353
    9   HD22  LEU  11          HD21      LEU  11  -2.719   4.811 -15.784
   10   HD21  LEU  11          HD22      LEU  11  -2.645   4.143 -14.154
   11   HD23  LEU  11          HD23      LEU  11  -4.023   3.784 -15.195

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  12           H        ILE  12   2.084   2.187 -15.776
    2    HA   ILE  12           HA       ILE  12   3.295   2.718 -13.273
    3    HB   ILE  12           HB       ILE  12   4.478   1.688 -15.887
    4   HG12  ILE  12          HG12      ILE  12   2.666   0.279 -14.894
    5   HG13  ILE  12          HG13      ILE  12   4.211  -0.541 -14.955
    6   HG21  ILE  12          HG21      ILE  12   5.632   1.624 -13.089
    7   HG23  ILE  12          HG22      ILE  12   6.265   2.526 -14.466
    8   HG22  ILE  12          HG23      ILE  12   6.298   0.764 -14.477
    9   HD12  ILE  12          HD11      ILE  12   2.834   0.656 -12.553
   10   HD11  ILE  12          HD12      ILE  12   4.524   0.185 -12.538
   11   HD13  ILE  12          HD13      ILE  12   3.278  -1.020 -12.835

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  13           H        ILE  13   3.898   3.981 -16.529
    2    HA   ILE  13           HA       ILE  13   6.044   5.691 -15.806
    3    HB   ILE  13           HB       ILE  13   4.021   5.812 -18.056
    4   HG12  ILE  13          HG12      ILE  13   5.827   3.928 -17.791
    5   HG13  ILE  13          HG13      ILE  13   5.624   4.706 -19.358
    6   HG22  ILE  13          HG21      ILE  13   5.787   7.369 -19.082
    7   HG21  ILE  13          HG22      ILE  13   6.415   7.547 -17.444
    8   HG23  ILE  13          HG23      ILE  13   4.767   8.052 -17.815
    9   HD13  ILE  13          HD11      ILE  13   7.633   5.847 -19.202
   10   HD12  ILE  13          HD12      ILE  13   8.033   4.422 -18.245
   11   HD11  ILE  13          HD13      ILE  13   7.571   5.921 -17.442

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ASN  14           H        ASN  14   2.539   6.202 -16.069
    2    HA   ASN  14           HA       ASN  14   2.509   8.947 -15.430
    3    HB2  ASN  14           HB2      ASN  14   0.608   7.314 -16.259
    4    HB3  ASN  14           HB3      ASN  14   0.288   7.136 -14.538
    5   HD21  ASN  14          HD21      ASN  14  -1.729   8.302 -15.967
    6   HD22  ASN  14          HD22      ASN  14  -1.783   9.975 -15.698

  No H/Q in entry =           6
  In of MODEL   64
    1    H    SER  15           H        SER  15   2.204   6.070 -13.355
    2    HA   SER  15           HA       SER  15   1.907   7.440 -10.905
    3    HB2  SER  15           HB2      SER  15   2.398   5.361  -9.856
    4    HB3  SER  15           HB3      SER  15   1.616   4.932 -11.374
    5    HG   SER  15           HG       SER  15   3.385   3.744 -11.496

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLY  16           H        GLY  16   4.775   6.332 -12.669
    2    HA3  GLY  16           HA2      GLY  16   6.706   7.080 -10.740
    3    HA2  GLY  16           HA3      GLY  16   7.006   6.877 -12.464

  No H/Q in entry =           3
  In of MODEL   64
    1    H    GLN  17           H        GLN  17   5.323   8.842 -13.523
    2    HA   GLN  17           HA       GLN  17   6.909  11.178 -13.216
    3    HB2  GLN  17           HB2      GLN  17   5.374  10.475 -15.187
    4    HB3  GLN  17           HB3      GLN  17   4.073  11.202 -14.248
    5    HG2  GLN  17           HG2      GLN  17   4.866  13.345 -14.538
    6    HG3  GLN  17           HG3      GLN  17   6.550  12.838 -14.608
    7   HE21  GLN  17          HE21      GLN  17   6.667  14.250 -16.599
    8   HE22  GLN  17          HE22      GLN  17   6.129  13.615 -18.078

  No H/Q in entry =           8
  In of MODEL   64
    1    H    ALA  18           H        ALA  18   3.807  10.170 -11.863
    2    HA   ALA  18           HA       ALA  18   3.092  12.560 -10.595
    3    HB1  ALA  18           HB1      ALA  18   1.954  10.107 -10.817
    4    HB2  ALA  18           HB2      ALA  18   1.411  11.328  -9.669
    5    HB3  ALA  18           HB3      ALA  18   2.498  10.042  -9.141

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ARG  19           H        ARG  19   4.959   9.790  -9.320
    2    HA   ARG  19           HA       ARG  19   5.498  10.944  -6.798
    3    HB2  ARG  19           HB2      ARG  19   5.904   8.540  -7.327
    4    HB3  ARG  19           HB3      ARG  19   7.260   9.023  -8.350
    5    HG2  ARG  19           HG2      ARG  19   8.385  10.058  -6.428
    6    HG3  ARG  19           HG3      ARG  19   7.010   9.673  -5.395
    7    HD2  ARG  19           HD2      ARG  19   8.767   8.033  -5.041
    8    HD3  ARG  19           HD3      ARG  19   7.390   7.255  -5.825
    9    HE   ARG  19           HE       ARG  19   9.094   8.071  -7.874
   10   HH11  ARG  19          HH11      ARG  19   9.164   6.038  -5.097
   11   HH12  ARG  19          HH12      ARG  19  10.348   4.958  -5.737
   12   HH21  ARG  19          HH21      ARG  19  10.649   6.662  -8.727
   13   HH22  ARG  19          HH22      ARG  19  11.192   5.312  -7.793

  No H/Q in entry =          13
  In of MODEL   64
    1    H    SER  20           H        SER  20   7.311  10.971  -9.849
    2    HA   SER  20           HA       SER  20   9.561  12.380  -9.027
    3    HB2  SER  20           HB2      SER  20   9.590  11.507 -11.231
    4    HB3  SER  20           HB3      SER  20   8.090  12.324 -11.657
    5    HG   SER  20           HG       SER  20  10.490  13.656 -10.934

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  21           H        LEU  21   6.463  13.658 -10.219
    2    HA   LEU  21           HA       LEU  21   7.141  16.402  -9.994
    3    HB2  LEU  21           HB2      LEU  21   4.481  14.961  -9.895
    4    HB3  LEU  21           HB3      LEU  21   4.628  16.718  -9.902
    5    HG   LEU  21           HG       LEU  21   5.871  14.955 -12.028
    6   HD12  LEU  21          HD11      LEU  21   3.411  16.562 -12.583
    7   HD11  LEU  21          HD12      LEU  21   3.207  15.032 -11.732
    8   HD13  LEU  21          HD13      LEU  21   3.962  15.060 -13.323
    9   HD21  LEU  21          HD21      LEU  21   5.987  17.784 -11.393
   10   HD23  LEU  21          HD22      LEU  21   5.235  17.565 -12.971
   11   HD22  LEU  21          HD23      LEU  21   6.835  16.898 -12.659

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ALA  22           H        ALA  22   5.627  14.114  -7.745
    2    HA   ALA  22           HA       ALA  22   5.029  15.921  -5.676
    3    HB3  ALA  22           HB1      ALA  22   4.264  13.530  -5.840
    4    HB2  ALA  22           HB2      ALA  22   4.855  14.000  -4.246
    5    HB1  ALA  22           HB3      ALA  22   5.875  13.041  -5.319

  No H/Q in entry =           5
  In of MODEL   64
    1    H    TYR  23           H        TYR  23   7.960  13.891  -6.120
    2    HA   TYR  23           HA       TYR  23   9.347  14.907  -3.868
    3    HB2  TYR  23           HB2      TYR  23  10.134  12.900  -5.022
    4    HB3  TYR  23           HB3      TYR  23  10.438  13.833  -6.488
    5    HD1  TYR  23           HD1      TYR  23  11.422  13.513  -2.900
    6    HD2  TYR  23           HD2      TYR  23  12.471  15.005  -6.789
    7    HE1  TYR  23           HE1      TYR  23  13.684  14.097  -2.066
    8    HE2  TYR  23           HE2      TYR  23  14.732  15.589  -5.955
    9    HH   TYR  23           HH       TYR  23  15.705  14.846  -2.608

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ALA  24           H        ALA  24   9.161  16.016  -7.234
    2    HA   ALA  24           HA       ALA  24  11.059  18.099  -6.989
    3    HB2  ALA  24           HB1      ALA  24  10.614  18.163  -9.197
    4    HB3  ALA  24           HB2      ALA  24   9.060  18.914  -8.835
    5    HB1  ALA  24           HB3      ALA  24   9.183  17.161  -8.966

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA  25           H        ALA  25   7.581  17.917  -6.363
    2    HA   ALA  25           HA       ALA  25   7.103  20.635  -5.792
    3    HB1  ALA  25           HB1      ALA  25   5.441  18.638  -5.992
    4    HB2  ALA  25           HB2      ALA  25   5.075  19.926  -4.842
    5    HB3  ALA  25           HB3      ALA  25   5.765  18.404  -4.273

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  26           H        LEU  26   8.173  17.954  -3.745
    2    HA   LEU  26           HA       LEU  26   8.282  19.383  -1.307
    3    HB2  LEU  26           HB2      LEU  26   8.377  16.967  -1.303
    4    HB3  LEU  26           HB3      LEU  26   9.846  16.975  -2.276
    5    HG   LEU  26           HG       LEU  26  11.063  18.092  -0.437
    6   HD12  LEU  26          HD11      LEU  26   9.840  18.098   1.825
    7   HD11  LEU  26          HD12      LEU  26   8.351  17.961   0.892
    8   HD13  LEU  26          HD13      LEU  26   9.395  19.367   0.683
    9   HD21  LEU  26          HD21      LEU  26   9.530  15.623   0.437
   10   HD23  LEU  26          HD22      LEU  26  11.047  16.185   1.133
   11   HD22  LEU  26          HD23      LEU  26  10.999  15.627  -0.537

  No H/Q in entry =          11
  In of MODEL   64
    1    H    LYS  27           H        LYS  27  10.695  18.812  -3.835
    2    HA   LYS  27           HA       LYS  27  12.880  20.053  -2.610
    3    HB2  LYS  27           HB2      LYS  27  12.979  18.706  -4.700
    4    HB3  LYS  27           HB3      LYS  27  12.212  20.038  -5.564
    5    HG2  LYS  27           HG2      LYS  27  14.078  21.524  -4.988
    6    HG3  LYS  27           HG3      LYS  27  14.840  20.231  -4.054
    7    HD2  LYS  27           HD2      LYS  27  14.981  18.845  -6.108
    8    HD3  LYS  27           HD3      LYS  27  14.264  20.163  -7.035
    9    HE2  LYS  27           HE2      LYS  27  16.151  21.630  -6.424
   10    HE3  LYS  27           HE3      LYS  27  16.872  20.316  -5.489
   11    HZ3  LYS  27           HZ1      LYS  27  17.859  20.417  -7.676
   12    HZ2  LYS  27           HZ2      LYS  27  16.332  20.298  -8.415
   13    HZ1  LYS  27           HZ3      LYS  27  16.957  18.988  -7.532

  No H/Q in entry =          13
  In of MODEL   64
    1    H    GLN  28           H        GLN  28  10.255  21.434  -4.554
    2    HA   GLN  28           HA       GLN  28  11.212  24.087  -4.707
    3    HB2  GLN  28           HB2      GLN  28   8.383  23.006  -4.599
    4    HB3  GLN  28           HB3      GLN  28   8.786  24.684  -4.961
    5    HG2  GLN  28           HG2      GLN  28   9.820  22.300  -6.521
    6    HG3  GLN  28           HG3      GLN  28   8.455  23.299  -7.016
    7   HE21  GLN  28          HE21      GLN  28  11.607  22.899  -7.759
    8   HE22  GLN  28          HE22      GLN  28  12.043  24.499  -8.123

  No H/Q in entry =           8
  In of MODEL   64
    1    H    ALA  29           H        ALA  29   9.285  22.393  -2.269
    2    HA   ALA  29           HA       ALA  29   8.736  24.583  -0.585
    3    HB2  ALA  29           HB1      ALA  29   8.011  23.013   0.983
    4    HB1  ALA  29           HB2      ALA  29   9.232  21.831   0.516
    5    HB3  ALA  29           HB3      ALA  29   7.845  22.123  -0.530

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LYS  30           H        LYS  30  11.468  22.319  -0.660
    2    HA   LYS  30           HA       LYS  30  12.789  23.273   1.641
    3    HB2  LYS  30           HB2      LYS  30  13.883  21.989  -0.871
    4    HB3  LYS  30           HB3      LYS  30  14.867  22.349   0.549
    5    HG2  LYS  30           HG2      LYS  30  13.317  20.964   1.930
    6    HG3  LYS  30           HG3      LYS  30  12.430  20.542   0.462
    7    HD2  LYS  30           HD2      LYS  30  14.475  19.558  -0.503
    8    HD3  LYS  30           HD3      LYS  30  15.381  19.994   0.948
    9    HE2  LYS  30           HE2      LYS  30  13.879  18.561   2.304
   10    HE3  LYS  30           HE3      LYS  30  13.004  18.105   0.837
   11    HZ2  LYS  30           HZ1      LYS  30  14.798  16.528   1.595
   12    HZ1  LYS  30           HZ2      LYS  30  15.933  17.717   1.142
   13    HZ3  LYS  30           HZ3      LYS  30  14.897  17.032  -0.021

  No H/Q in entry =          13
  In of MODEL   64
    1    H    GLN  31           H        GLN  31  12.673  24.479  -1.655
    2    HA   GLN  31           HA       GLN  31  14.825  26.375  -1.235
    3    HB2  GLN  31           HB2      GLN  31  12.778  26.420  -3.457
    4    HB3  GLN  31           HB3      GLN  31  14.397  27.118  -3.460
    5    HG2  GLN  31           HG2      GLN  31  14.864  24.422  -2.886
    6    HG3  GLN  31           HG3      GLN  31  13.558  24.367  -4.063
    7   HE21  GLN  31          HE21      GLN  31  16.402  23.577  -4.472
    8   HE22  GLN  31          HE22      GLN  31  16.971  24.552  -5.738

  No H/Q in entry =           8
  In of MODEL   64
    1    H    GLY  32           H        GLY  32  11.752  26.188  -0.085
    2    HA3  GLY  32           HA2      GLY  32  10.596  27.755   1.190
    3    HA2  GLY  32           HA3      GLY  32  11.719  28.992   0.639

  No H/Q in entry =           3
  In of MODEL   64
    1    H    ASP  33           H        ASP  33  10.353  27.087  -1.852
    2    HA   ASP  33           HA       ASP  33   8.685  29.358  -2.704
    3    HB2  ASP  33           HB2      ASP  33   9.779  26.941  -4.149
    4    HB3  ASP  33           HB3      ASP  33   8.625  28.055  -4.877

  No H/Q in entry =           4
  In of MODEL   64
    1    H    PHE  34           H        PHE  34   6.999  28.880  -1.138
    2    HA   PHE  34           HA       PHE  34   5.623  26.406  -1.041
    3    HB2  PHE  34           HB2      PHE  34   4.660  29.192  -0.359
    4    HB3  PHE  34           HB3      PHE  34   3.813  27.700   0.053
    5    HD1  PHE  34           HD1      PHE  34   6.062  30.100   1.265
    6    HD2  PHE  34           HD2      PHE  34   5.387  25.859   1.211
    7    HE1  PHE  34           HE1      PHE  34   7.456  29.851   3.300
    8    HE2  PHE  34           HE2      PHE  34   6.783  25.613   3.243
    9    HZ   PHE  34           HZ       PHE  34   7.812  27.610   4.287

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ALA  35           H        ALA  35   5.186  29.270  -3.050
    2    HA   ALA  35           HA       ALA  35   2.634  28.653  -4.072
    3    HB3  ALA  35           HB1      ALA  35   3.681  30.047  -6.110
    4    HB2  ALA  35           HB2      ALA  35   4.900  30.410  -4.888
    5    HB1  ALA  35           HB3      ALA  35   3.209  30.816  -4.595

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA  36           H        ALA  36   5.861  27.984  -5.431
    2    HA   ALA  36           HA       ALA  36   4.871  26.555  -7.674
    3    HB3  ALA  36           HB1      ALA  36   7.028  26.683  -8.293
    4    HB2  ALA  36           HB2      ALA  36   7.513  25.654  -6.944
    5    HB1  ALA  36           HB3      ALA  36   7.406  27.401  -6.727

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA  37           H        ALA  37   5.833  25.560  -4.421
    2    HA   ALA  37           HA       ALA  37   5.777  22.772  -4.851
    3    HB2  ALA  37           HB1      ALA  37   5.518  24.562  -2.472
    4    HB1  ALA  37           HB2      ALA  37   6.652  23.246  -2.766
    5    HB3  ALA  37           HB3      ALA  37   4.992  22.890  -2.293

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LYS  38           H        LYS  38   3.243  24.976  -3.678
    2    HA   LYS  38           HA       LYS  38   1.147  23.160  -3.453
    3    HB2  LYS  38           HB2      LYS  38   1.495  25.917  -3.201
    4    HB3  LYS  38           HB3      LYS  38   0.294  25.769  -4.479
    5    HG2  LYS  38           HG2      LYS  38  -1.152  24.442  -3.034
    6    HG3  LYS  38           HG3      LYS  38   0.095  24.383  -1.780
    7    HD2  LYS  38           HD2      LYS  38  -0.094  26.720  -1.331
    8    HD3  LYS  38           HD3      LYS  38  -1.009  27.008  -2.812
    9    HE2  LYS  38           HE2      LYS  38  -2.509  27.039  -0.870
   10    HE3  LYS  38           HE3      LYS  38  -2.883  25.663  -1.912
   11    HZ3  LYS  38           HZ1      LYS  38  -2.153  24.192  -0.381
   12    HZ2  LYS  38           HZ2      LYS  38  -2.504  25.449   0.709
   13    HZ1  LYS  38           HZ3      LYS  38  -0.909  25.200   0.182

  No H/Q in entry =          13
  In of MODEL   64
    1    H    ALA  39           H        ALA  39   2.119  25.065  -6.303
    2    HA   ALA  39           HA       ALA  39   0.042  24.196  -8.003
    3    HB2  ALA  39           HB1      ALA  39   2.776  24.848  -9.060
    4    HB1  ALA  39           HB2      ALA  39   1.809  26.108  -8.293
    5    HB3  ALA  39           HB3      ALA  39   1.195  25.271  -9.719

  No H/Q in entry =           5
  In of MODEL   64
    1    H    MET  40           H        MET  40   3.283  22.901  -7.429
    2    HA   MET  40           HA       MET  40   3.185  20.882  -9.421
    3    HB2  MET  40           HB2      MET  40   4.800  21.107  -6.875
    4    HB3  MET  40           HB3      MET  40   5.051  19.852  -8.090
    5    HG2  MET  40           HG2      MET  40   5.103  22.808  -8.754
    6    HG3  MET  40           HG3      MET  40   6.551  21.908  -8.308
    7    HE3  MET  40           HE1      MET  40   7.423  19.695 -11.119
    8    HE2  MET  40           HE2      MET  40   6.862  19.374  -9.480
    9    HE1  MET  40           HE3      MET  40   7.955  20.723  -9.781

  No H/Q in entry =           9
  In of MODEL   64
    1    H    MET  41           H        MET  41   2.275  20.921  -5.996
    2    HA   MET  41           HA       MET  41   1.748  18.156  -5.718
    3    HB2  MET  41           HB2      MET  41   0.413  20.510  -4.364
    4    HB3  MET  41           HB3      MET  41   0.261  18.832  -3.857
    5    HG2  MET  41           HG2      MET  41   2.971  19.060  -3.898
    6    HG3  MET  41           HG3      MET  41   2.528  20.717  -3.501
    7    HE2  MET  41           HE1      MET  41  -0.506  19.458  -1.771
    8    HE1  MET  41           HE2      MET  41   0.307  20.973  -2.149
    9    HE3  MET  41           HE3      MET  41   0.252  20.401  -0.481

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ASP  42           H        ASP  42  -0.297  20.877  -6.688
    2    HA   ASP  42           HA       ASP  42  -2.735  19.512  -6.821
    3    HB2  ASP  42           HB2      ASP  42  -2.034  22.084  -7.078
    4    HB3  ASP  42           HB3      ASP  42  -2.186  21.689  -8.786

  No H/Q in entry =           4
  In of MODEL   64
    1    H    GLN  43           H        GLN  43  -0.299  20.109  -9.327
    2    HA   GLN  43           HA       GLN  43  -1.687  18.788 -11.415
    3    HB2  GLN  43           HB2      GLN  43   1.271  19.309 -11.037
    4    HB3  GLN  43           HB3      GLN  43   0.556  18.669 -12.519
    5    HG2  GLN  43           HG2      GLN  43  -0.960  20.693 -12.557
    6    HG3  GLN  43           HG3      GLN  43  -0.006  21.350 -11.230
    7   HE21  GLN  43          HE21      GLN  43   0.149  22.972 -13.316
    8   HE22  GLN  43          HE22      GLN  43   1.563  22.754 -14.225

  No H/Q in entry =           8
  In of MODEL   64
    1    H    SER  44           H        SER  44   0.669  17.651  -9.028
    2    HA   SER  44           HA       SER  44   1.008  15.046 -10.055
    3    HB2  SER  44           HB2      SER  44   1.903  16.485  -7.819
    4    HB3  SER  44           HB3      SER  44   1.045  15.100  -7.148
    5    HG   SER  44           HG       SER  44   3.156  14.484  -7.578

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ARG  45           H        ARG  45  -1.311  16.358  -7.713
    2    HA   ARG  45           HA       ARG  45  -2.691  13.994  -7.077
    3    HB2  ARG  45           HB2      ARG  45  -2.892  16.160  -5.884
    4    HB3  ARG  45           HB3      ARG  45  -3.751  16.825  -7.269
    5    HG2  ARG  45           HG2      ARG  45  -5.513  15.095  -6.984
    6    HG3  ARG  45           HG3      ARG  45  -4.665  14.485  -5.562
    7    HD2  ARG  45           HD2      ARG  45  -4.875  16.750  -4.505
    8    HD3  ARG  45           HD3      ARG  45  -5.865  17.269  -5.886
    9    HE   ARG  45           HE       ARG  45  -6.968  14.890  -4.845
   10   HH11  ARG  45          HH11      ARG  45  -6.429  18.137  -3.820
   11   HH12  ARG  45          HH12      ARG  45  -7.850  18.197  -2.841
   12   HH21  ARG  45          HH21      ARG  45  -8.802  14.960  -3.571
   13   HH22  ARG  45          HH22      ARG  45  -9.199  16.398  -2.701

  No H/Q in entry =          13
  In of MODEL   64
    1    H    MET  46           H        MET  46  -3.285  16.398  -9.625
    2    HA   MET  46           HA       MET  46  -5.623  15.220 -10.684
    3    HB2  MET  46           HB2      MET  46  -3.520  16.961 -11.994
    4    HB3  MET  46           HB3      MET  46  -5.061  16.538 -12.745
    5    HG2  MET  46           HG2      MET  46  -6.295  17.612 -10.965
    6    HG3  MET  46           HG3      MET  46  -4.825  17.871 -10.037
    7    HE1  MET  46           HE1      MET  46  -7.025  18.600 -12.847
    8    HE3  MET  46           HE2      MET  46  -5.781  18.826 -14.069
    9    HE2  MET  46           HE3      MET  46  -6.626  20.223 -13.409

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ALA  47           H        ALA  47  -2.194  14.750 -11.447
    2    HA   ALA  47           HA       ALA  47  -2.538  13.023 -13.658
    3    HB3  ALA  47           HB1      ALA  47  -0.362  13.918 -13.309
    4    HB2  ALA  47           HB2      ALA  47  -0.216  12.190 -12.976
    5    HB1  ALA  47           HB3      ALA  47  -0.310  13.341 -11.642

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  48           H        LEU  48  -2.262  12.386 -10.185
    2    HA   LEU  48           HA       LEU  48  -2.348   9.546 -10.344
    3    HB2  LEU  48           HB2      LEU  48  -3.114  11.461  -8.129
    4    HB3  LEU  48           HB3      LEU  48  -3.015   9.711  -7.929
    5    HG   LEU  48           HG       LEU  48  -0.723  11.417  -8.929
    6   HD13  LEU  48          HD11      LEU  48  -1.004  12.185  -6.737
    7   HD12  LEU  48          HD12      LEU  48   0.163  10.881  -6.541
    8   HD11  LEU  48          HD13      LEU  48  -1.534  10.613  -6.141
    9   HD22  LEU  48          HD21      LEU  48  -0.218   9.233  -9.571
   10   HD21  LEU  48          HD22      LEU  48  -1.084   8.515  -8.214
   11   HD23  LEU  48          HD23      LEU  48   0.487   9.272  -7.956

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ASN  49           H        ASN  49  -4.818  12.031  -9.938
    2    HA   ASN  49           HA       ASN  49  -6.998  10.360  -9.397
    3    HB2  ASN  49           HB2      ASN  49  -7.100  12.795  -9.110
    4    HB3  ASN  49           HB3      ASN  49  -6.959  13.017 -10.853
    5   HD21  ASN  49          HD21      ASN  49  -9.251  13.860  -9.194
    6   HD22  ASN  49          HD22      ASN  49 -10.599  13.007  -9.772

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLU  50           H        GLU  50  -5.726  11.562 -12.485
    2    HA   GLU  50           HA       GLU  50  -7.679  10.301 -14.129
    3    HB2  GLU  50           HB2      GLU  50  -6.220  12.125 -14.944
    4    HB3  GLU  50           HB3      GLU  50  -4.822  11.057 -14.808
    5    HG2  GLU  50           HG2      GLU  50  -5.793   9.519 -16.444
    6    HG3  GLU  50           HG3      GLU  50  -7.257  10.493 -16.530

  No H/Q in entry =           6
  In of MODEL   64
    1    H    ALA  51           H        ALA  51  -4.504   9.318 -12.928
    2    HA   ALA  51           HA       ALA  51  -4.359   6.866 -14.347
    3    HB2  ALA  51           HB1      ALA  51  -2.376   6.583 -13.249
    4    HB1  ALA  51           HB2      ALA  51  -3.063   7.003 -11.681
    5    HB3  ALA  51           HB3      ALA  51  -2.613   8.276 -12.815

  No H/Q in entry =           5
  In of MODEL   64
    1    H    HIS  52           H        HIS  52  -5.531   7.693 -11.096
    2    HA   HIS  52           HA       HIS  52  -6.208   5.081 -10.265
    3    HB2  HIS  52           HB2      HIS  52  -6.073   7.068  -8.770
    4    HB3  HIS  52           HB3      HIS  52  -7.563   7.674  -9.494
    5    HD1  HIS  52           HD1      HIS  52  -9.685   5.985  -9.286
    6    HD2  HIS  52           HD2      HIS  52  -6.489   5.253  -6.712
    7    HE1  HIS  52           HE1      HIS  52 -10.571   4.480  -7.459
    8    HE2  HIS  52           HE2      HIS  52  -8.637   4.028  -5.873

  No H/Q in entry =           8
  In of MODEL   64
    1    H    LEU  53           H        LEU  53  -8.036   7.535 -12.050
    2    HA   LEU  53           HA       LEU  53 -10.539   6.236 -12.060
    3    HB2  LEU  53           HB2      LEU  53  -9.216   8.207 -13.920
    4    HB3  LEU  53           HB3      LEU  53 -10.817   7.561 -14.271
    5    HG   LEU  53           HG       LEU  53 -10.147   8.808 -11.596
    6   HD12  LEU  53          HD11      LEU  53 -11.462  10.802 -12.671
    7   HD11  LEU  53          HD12      LEU  53 -10.929  10.099 -14.199
    8   HD13  LEU  53          HD13      LEU  53  -9.740  10.631 -13.010
    9   HD21  LEU  53          HD21      LEU  53 -12.664   8.042 -13.082
   10   HD23  LEU  53          HD22      LEU  53 -12.706   9.271 -11.822
   11   HD22  LEU  53          HD23      LEU  53 -12.190   7.633 -11.434

  No H/Q in entry =          11
  In of MODEL   64
    1    H    VAL  54           H        VAL  54  -7.790   6.047 -14.300
    2    HA   VAL  54           HA       VAL  54  -9.011   4.274 -16.143
    3    HB   VAL  54           HB       VAL  54  -6.103   4.786 -15.463
    4   HG12  VAL  54          HG11      VAL  54  -5.856   3.703 -17.853
    5   HG11  VAL  54          HG12      VAL  54  -7.382   2.918 -17.448
    6   HG13  VAL  54          HG13      VAL  54  -5.965   2.667 -16.431
    7   HG22  VAL  54          HG21      VAL  54  -6.879   6.728 -16.506
    8   HG21  VAL  54          HG22      VAL  54  -8.071   5.863 -17.474
    9   HG23  VAL  54          HG23      VAL  54  -6.365   5.787 -17.906

  No H/Q in entry =           9
  In of MODEL   64
    1    H    GLN  55           H        GLN  55  -7.008   3.731 -13.245
    2    HA   GLN  55           HA       GLN  55  -6.912   0.914 -13.503
    3    HB2  GLN  55           HB2      GLN  55  -5.357   1.813 -11.985
    4    HB3  GLN  55           HB3      GLN  55  -6.575   2.776 -11.154
    5    HG2  GLN  55           HG2      GLN  55  -7.258   1.017  -9.836
    6    HG3  GLN  55           HG3      GLN  55  -7.032  -0.169 -11.115
    7   HE21  GLN  55          HE21      GLN  55  -5.405  -1.616 -10.623
    8   HE22  GLN  55          HE22      GLN  55  -4.021  -1.262  -9.712

  No H/Q in entry =           8
  In of MODEL   64
    1    H    THR  56           H        THR  56  -9.246   3.072 -11.885
    2    HA   THR  56           HA       THR  56 -10.825   1.185 -10.595
    3    HB   THR  56           HB       THR  56 -11.896   3.591 -12.098
    4    HG1  THR  56           HG1      THR  56 -11.565   4.325  -9.710
    5   HG23  THR  56          HG21      THR  56 -13.820   3.363 -10.852
    6   HG22  THR  56          HG22      THR  56 -12.946   2.774  -9.439
    7   HG21  THR  56          HG23      THR  56 -13.305   1.679 -10.772

  No H/Q in entry =           7
  In of MODEL   64
    1    H    LYS  57           H        LYS  57 -11.032   2.268 -13.981
    2    HA   LYS  57           HA       LYS  57 -13.186   0.577 -14.733
    3    HB2  LYS  57           HB2      LYS  57 -12.346   2.509 -16.083
    4    HB3  LYS  57           HB3      LYS  57 -10.923   1.548 -16.489
    5    HG2  LYS  57           HG2      LYS  57 -12.338  -0.172 -17.507
    6    HG3  LYS  57           HG3      LYS  57 -13.786   0.724 -17.049
    7    HD2  LYS  57           HD2      LYS  57 -13.047   2.624 -18.451
    8    HD3  LYS  57           HD3      LYS  57 -11.620   1.705 -18.930
    9    HE2  LYS  57           HE2      LYS  57 -13.261  -0.115 -19.712
   10    HE3  LYS  57           HE3      LYS  57 -14.515   1.117 -19.560
   11    HZ2  LYS  57           HZ1      LYS  57 -12.518   0.801 -21.578
   12    HZ1  LYS  57           HZ2      LYS  57 -12.502   2.364 -20.912
   13    HZ3  LYS  57           HZ3      LYS  57 -13.929   1.742 -21.593

  No H/Q in entry =          13
  In of MODEL   64
    1    H    LEU  58           H        LEU  58  -9.681   0.153 -14.679
    2    HA   LEU  58           HA       LEU  58  -9.685  -2.364 -15.968
    3    HB2  LEU  58           HB2      LEU  58  -7.652  -1.069 -14.161
    4    HB3  LEU  58           HB3      LEU  58  -7.389  -2.590 -15.016
    5    HG   LEU  58           HG       LEU  58  -8.149   0.014 -16.378
    6   HD11  LEU  58          HD11      LEU  58  -5.500  -1.219 -15.689
    7   HD13  LEU  58          HD12      LEU  58  -5.998   0.472 -15.640
    8   HD12  LEU  58          HD13      LEU  58  -5.658  -0.299 -17.186
    9   HD22  LEU  58          HD21      LEU  58  -8.723  -1.549 -17.969
   10   HD21  LEU  58          HD22      LEU  58  -7.679  -2.795 -17.288
   11   HD23  LEU  58          HD23      LEU  58  -6.991  -1.520 -18.294

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  59           H        ILE  59 -10.506  -1.463 -12.716
    2    HA   ILE  59           HA       ILE  59 -10.149  -4.230 -11.769
    3    HB   ILE  59           HB       ILE  59  -9.667  -1.968 -10.405
    4   HG12  ILE  59          HG12      ILE  59 -10.927  -4.319  -8.995
    5   HG13  ILE  59          HG13      ILE  59  -9.344  -4.430  -9.746
    6   HG23  ILE  59          HG21      ILE  59 -11.916  -1.106 -10.305
    7   HG22  ILE  59          HG22      ILE  59 -11.503  -1.694  -8.716
    8   HG21  ILE  59          HG23      ILE  59 -12.555  -2.643  -9.753
    9   HD12  ILE  59          HD11      ILE  59 -10.201  -2.727  -7.427
   10   HD11  ILE  59          HD12      ILE  59  -8.810  -2.263  -8.404
   11   HD13  ILE  59          HD13      ILE  59  -8.811  -3.806  -7.552

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLU  60           H        GLU  60 -12.712  -1.920 -12.576
    2    HA   GLU  60           HA       GLU  60 -14.893  -3.441 -11.561
    3    HB2  GLU  60           HB2      GLU  60 -15.123  -1.068 -12.181
    4    HB3  GLU  60           HB3      GLU  60 -14.777  -1.458 -13.863
    5    HG2  GLU  60           HG2      GLU  60 -16.827  -3.009 -13.769
    6    HG3  GLU  60           HG3      GLU  60 -17.214  -2.222 -12.243

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLY  61           H        GLY  61 -13.222  -3.422 -14.677
    2    HA3  GLY  61           HA2      GLY  61 -14.930  -5.670 -15.566
    3    HA2  GLY  61           HA3      GLY  61 -14.088  -4.564 -16.645

  No H/Q in entry =           3
  In of MODEL   64
    1    H    ASP  62           H        ASP  62 -12.698  -6.002 -13.763
    2    HA   ASP  62           HA       ASP  62 -10.374  -6.869 -15.138
    3    HB2  ASP  62           HB2      ASP  62  -9.838  -7.983 -12.975
    4    HB3  ASP  62           HB3      ASP  62 -10.265  -6.284 -12.801

  No H/Q in entry =           4
  In of MODEL   64
    1    H    ALA  63           H        ALA  63 -13.443  -8.207 -15.086
    2    HA   ALA  63           HA       ALA  63 -12.637 -10.995 -15.083
    3    HB2  ALA  63           HB1      ALA  63 -14.917  -9.974 -14.326
    4    HB3  ALA  63           HB2      ALA  63 -14.909 -11.508 -15.196
    5    HB1  ALA  63           HB3      ALA  63 -15.306 -10.015 -16.046

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLY  64           H        GLY  64 -13.505 -12.373 -16.987
    2    HA3  GLY  64           HA2      GLY  64 -14.041 -12.101 -19.460
    3    HA2  GLY  64           HA3      GLY  64 -12.589 -11.108 -19.504

  No H/Q in entry =           3
  In of MODEL   64
    1    H    GLU  65           H        GLU  65 -10.668 -12.388 -18.266
    2    HA   GLU  65           HA       GLU  65 -10.026 -14.560 -19.973
    3    HB2  GLU  65           HB2      GLU  65  -8.755 -13.584 -17.411
    4    HB3  GLU  65           HB3      GLU  65  -8.076 -14.867 -18.411
    5    HG2  GLU  65           HG2      GLU  65  -7.940 -13.344 -20.323
    6    HG3  GLU  65           HG3      GLU  65  -8.688 -12.059 -19.375

  No H/Q in entry =           6
  In of MODEL   64
    1    H    GLY  66           H        GLY  66 -11.189 -14.405 -16.633
    2    HA3  GLY  66           HA2      GLY  66 -12.184 -17.115 -16.817
    3    HA2  GLY  66           HA3      GLY  66 -10.842 -16.926 -15.692

  No H/Q in entry =           3
  In of MODEL   64
    1    H    LYS  67           H        LYS  67 -13.109 -17.784 -14.609
    2    HA   LYS  67           HA       LYS  67 -14.947 -15.785 -13.781
    3    HB2  LYS  67           HB2      LYS  67 -14.257 -18.395 -12.409
    4    HB3  LYS  67           HB3      LYS  67 -15.723 -17.447 -12.177
    5    HG2  LYS  67           HG2      LYS  67 -14.879 -18.637 -14.835
    6    HG3  LYS  67           HG3      LYS  67 -16.014 -19.406 -13.728
    7    HD2  LYS  67           HD2      LYS  67 -17.365 -17.227 -13.841
    8    HD3  LYS  67           HD3      LYS  67 -16.348 -16.798 -15.218
    9    HE2  LYS  67           HE2      LYS  67 -17.037 -18.789 -16.422
   10    HE3  LYS  67           HE3      LYS  67 -17.943 -19.366 -15.023
   11    HZ3  LYS  67           HZ1      LYS  67 -19.589 -17.856 -15.343
   12    HZ2  LYS  67           HZ2      LYS  67 -19.098 -18.044 -16.958
   13    HZ1  LYS  67           HZ3      LYS  67 -18.570 -16.704 -16.057

  No H/Q in entry =          13
  In of MODEL   64
    1    H    MET  68           H        MET  68 -13.019 -17.608 -11.466
    2    HA   MET  68           HA       MET  68 -12.958 -15.514  -9.570
    3    HB2  MET  68           HB2      MET  68 -11.573 -18.163  -9.824
    4    HB3  MET  68           HB3      MET  68 -11.160 -17.055  -8.516
    5    HG2  MET  68           HG2      MET  68 -13.988 -17.951  -9.129
    6    HG3  MET  68           HG3      MET  68 -12.959 -18.715  -7.918
    7    HE3  MET  68           HE1      MET  68 -15.581 -16.083  -8.566
    8    HE2  MET  68           HE2      MET  68 -15.916 -15.913  -6.845
    9    HE1  MET  68           HE3      MET  68 -15.784 -17.520  -7.555

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LYS  69           H        LYS  69 -10.516 -16.637 -11.896
    2    HA   LYS  69           HA       LYS  69  -8.435 -15.000 -10.836
    3    HB2  LYS  69           HB2      LYS  69  -8.721 -16.443 -13.468
    4    HB3  LYS  69           HB3      LYS  69  -7.260 -15.584 -12.973
    5    HG2  LYS  69           HG2      LYS  69  -7.124 -16.975 -10.940
    6    HG3  LYS  69           HG3      LYS  69  -8.582 -17.837 -11.432
    7    HD2  LYS  69           HD2      LYS  69  -7.423 -18.569 -13.504
    8    HD3  LYS  69           HD3      LYS  69  -5.956 -17.761 -12.947
    9    HE2  LYS  69           HE2      LYS  69  -7.392 -19.938 -11.401
   10    HE3  LYS  69           HE3      LYS  69  -5.986 -20.214 -12.428
   11    HZ1  LYS  69           HZ1      LYS  69  -5.693 -18.068 -10.514
   12    HZ3  LYS  69           HZ2      LYS  69  -4.610 -19.308 -10.933
   13    HZ2  LYS  69           HZ3      LYS  69  -5.860 -19.608  -9.822

  No H/Q in entry =          13
  In of MODEL   64
    1    H    VAL  70           H        VAL  70  -7.419 -13.213 -11.726
    2    HA   VAL  70           HA       VAL  70  -9.001 -11.567 -13.602
    3    HB   VAL  70           HB       VAL  70  -8.452  -9.592 -12.213
    4   HG12  VAL  70          HG11      VAL  70 -10.004 -10.128 -10.344
    5   HG11  VAL  70          HG12      VAL  70  -9.883 -11.838 -10.761
    6   HG13  VAL  70          HG13      VAL  70 -10.613 -10.703 -11.896
    7   HG22  VAL  70          HG21      VAL  70  -7.564  -9.942  -9.941
    8   HG21  VAL  70          HG22      VAL  70  -6.421 -10.526 -11.151
    9   HG23  VAL  70          HG23      VAL  70  -7.422 -11.672 -10.258

  No H/Q in entry =           9
  In of MODEL   64
    1    H    SER  71           H        SER  71  -7.599  -9.611 -14.340
    2    HA   SER  71           HA       SER  71  -5.306 -10.577 -15.658
    3    HB2  SER  71           HB2      SER  71  -6.622  -8.567 -16.354
    4    HB3  SER  71           HB3      SER  71  -5.938  -7.692 -14.987
    5    HG   SER  71           HG       SER  71  -3.841  -8.428 -15.942

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  72           H        LEU  72  -3.250 -10.833 -15.016
    2    HA   LEU  72           HA       LEU  72  -2.528 -10.616 -12.305
    3    HB2  LEU  72           HB2      LEU  72  -0.889 -11.034 -14.801
    4    HB3  LEU  72           HB3      LEU  72  -0.208 -11.103 -13.177
    5    HG   LEU  72           HG       LEU  72  -2.566 -12.782 -14.075
    6   HD12  LEU  72          HD11      LEU  72   0.321 -13.655 -13.792
    7   HD11  LEU  72          HD12      LEU  72  -0.425 -13.251 -15.338
    8   HD13  LEU  72          HD13      LEU  72  -1.031 -14.613 -14.396
    9   HD22  LEU  72          HD21      LEU  72  -2.651 -12.826 -11.757
   10   HD21  LEU  72          HD22      LEU  72  -0.921 -12.533 -11.580
   11   HD23  LEU  72          HD23      LEU  72  -1.502 -14.135 -12.031

  No H/Q in entry =          11
  In of MODEL   64
    1    H    VAL  73           H        VAL  73  -1.816  -8.600 -15.087
    2    HA   VAL  73           HA       VAL  73   0.103  -6.899 -13.985
    3    HB   VAL  73           HB       VAL  73  -0.321  -5.460 -15.835
    4   HG11  VAL  73          HG11      VAL  73  -0.964  -8.329 -16.586
    5   HG13  VAL  73          HG12      VAL  73   0.648  -7.633 -16.430
    6   HG12  VAL  73          HG13      VAL  73  -0.430  -7.082 -17.712
    7   HG22  VAL  73          HG21      VAL  73  -2.615  -5.012 -15.829
    8   HG21  VAL  73          HG22      VAL  73  -3.048  -6.717 -15.716
    9   HG23  VAL  73          HG23      VAL  73  -2.461  -6.056 -17.242

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LEU  74           H        LEU  74  -3.311  -7.010 -13.415
    2    HA   LEU  74           HA       LEU  74  -3.948  -4.377 -12.835
    3    HB2  LEU  74           HB2      LEU  74  -5.591  -6.158 -12.849
    4    HB3  LEU  74           HB3      LEU  74  -4.789  -6.969 -11.511
    5    HG   LEU  74           HG       LEU  74  -5.309  -5.038 -10.051
    6   HD13  LEU  74          HD11      LEU  74  -5.443  -3.180 -11.487
    7   HD12  LEU  74          HD12      LEU  74  -7.130  -3.471 -11.065
    8   HD11  LEU  74          HD13      LEU  74  -6.504  -4.010 -12.623
    9   HD22  LEU  74          HD21      LEU  74  -7.502  -5.762  -9.634
   10   HD21  LEU  74          HD22      LEU  74  -6.910  -7.078 -10.634
   11   HD23  LEU  74          HD23      LEU  74  -7.907  -5.817 -11.349

  No H/Q in entry =          11
  In of MODEL   64
    1    H    VAL  75           H        VAL  75  -2.286  -6.745 -10.883
    2    HA   VAL  75           HA       VAL  75  -2.147  -5.188  -8.499
    3    HB   VAL  75           HB       VAL  75  -0.390  -7.465  -9.452
    4   HG12  VAL  75          HG11      VAL  75  -0.176  -7.553  -6.785
    5   HG11  VAL  75          HG12      VAL  75  -0.449  -5.820  -6.960
    6   HG13  VAL  75          HG13      VAL  75   0.918  -6.583  -7.771
    7   HG22  VAL  75          HG21      VAL  75  -2.673  -8.222  -9.197
    8   HG21  VAL  75          HG22      VAL  75  -2.860  -7.329  -7.687
    9   HG23  VAL  75          HG23      VAL  75  -1.798  -8.734  -7.755

  No H/Q in entry =           9
  In of MODEL   64
    1    H    HIS  76           H        HIS  76   0.144  -5.632 -11.320
    2    HA   HIS  76           HA       HIS  76   2.311  -4.160 -10.362
    3    HB2  HIS  76           HB2      HIS  76   2.123  -5.480 -12.556
    4    HB3  HIS  76           HB3      HIS  76   1.402  -4.019 -13.231
    5    HD1  HIS  76           HD1      HIS  76   3.260  -3.029 -14.603
    6    HD2  HIS  76           HD2      HIS  76   4.560  -4.161 -10.808
    7    HE1  HIS  76           HE1      HIS  76   5.648  -2.216 -14.392

  No H/Q in entry =           7
  In of MODEL   64
    1    H    ALA  77           H        ALA  77  -0.583  -3.046 -12.093
    2    HA   ALA  77           HA       ALA  77   0.178  -0.289 -12.078
    3    HB2  ALA  77           HB1      ALA  77  -2.351  -1.805 -12.635
    4    HB1  ALA  77           HB2      ALA  77  -1.414  -0.765 -13.707
    5    HB3  ALA  77           HB3      ALA  77  -2.419  -0.052 -12.445

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLN  78           H        GLN  78  -1.831  -2.316  -9.972
    2    HA   GLN  78           HA       GLN  78  -2.779  -0.227  -8.312
    3    HB2  GLN  78           HB2      GLN  78  -3.621  -2.649  -8.497
    4    HB3  GLN  78           HB3      GLN  78  -2.299  -3.066  -7.407
    5    HG2  GLN  78           HG2      GLN  78  -3.152  -1.399  -5.779
    6    HG3  GLN  78           HG3      GLN  78  -4.512  -1.074  -6.852
    7   HE21  GLN  78          HE21      GLN  78  -4.407  -4.110  -7.582
    8   HE22  GLN  78          HE22      GLN  78  -5.230  -4.842  -6.291

  No H/Q in entry =           8
  In of MODEL   64
    1    H    LEU  79           H        LEU  79  -0.019  -2.449  -7.992
    2    HA   LEU  79           HA       LEU  79   0.956  -1.550  -5.535
    3    HB2  LEU  79           HB2      LEU  79   1.830  -3.558  -6.602
    4    HB3  LEU  79           HB3      LEU  79   2.473  -2.605  -7.936
    5    HG   LEU  79           HG       LEU  79   4.028  -1.463  -6.434
    6   HD13  LEU  79          HD11      LEU  79   3.023  -1.218  -4.366
    7   HD12  LEU  79          HD12      LEU  79   4.104  -2.566  -4.022
    8   HD11  LEU  79          HD13      LEU  79   2.399  -2.868  -4.351
    9   HD23  LEU  79          HD21      LEU  79   5.243  -3.608  -5.530
   10   HD22  LEU  79          HD22      LEU  79   5.038  -3.410  -7.268
   11   HD21  LEU  79          HD23      LEU  79   3.963  -4.481  -6.375

  No H/Q in entry =          11
  In of MODEL   64
    1    H    HIS  80           H        HIS  80   1.823  -0.433  -8.809
    2    HA   HIS  80           HA       HIS  80   3.627   1.559  -7.888
    3    HB2  HIS  80           HB2      HIS  80   2.311   0.897 -10.475
    4    HB3  HIS  80           HB3      HIS  80   2.974   2.521 -10.290
    5    HD1  HIS  80           HD1      HIS  80   5.426   2.759 -10.637
    6    HD2  HIS  80           HD2      HIS  80   4.365  -1.190  -9.830
    7    HE1  HIS  80           HE1      HIS  80   7.549   1.383 -10.862
    8    HE2  HIS  80           HE2      HIS  80   6.914  -1.028 -10.373

  No H/Q in entry =           8
  In of MODEL   64
    1    H    LEU  81           H        LEU  81   0.222   1.710  -8.867
    2    HA   LEU  81           HA       LEU  81  -0.060   4.502  -8.538
    3    HB2  LEU  81           HB2      LEU  81  -2.069   2.251  -8.457
    4    HB3  LEU  81           HB3      LEU  81  -2.526   3.953  -8.366
    5    HG   LEU  81           HG       LEU  81  -0.830   2.807 -10.602
    6   HD12  LEU  81          HD11      LEU  81  -3.063   3.120 -11.901
    7   HD11  LEU  81          HD12      LEU  81  -3.818   3.050 -10.309
    8   HD13  LEU  81          HD13      LEU  81  -2.871   1.685 -10.896
    9   HD23  LEU  81          HD21      LEU  81  -1.933   4.948 -11.700
   10   HD22  LEU  81          HD22      LEU  81  -0.517   5.123 -10.666
   11   HD21  LEU  81          HD23      LEU  81  -2.123   5.467 -10.026

  No H/Q in entry =          11
  In of MODEL   64
    1    H    MET  82           H        MET  82  -0.711   1.814  -6.288
    2    HA   MET  82           HA       MET  82  -1.768   3.398  -4.201
    3    HB2  MET  82           HB2      MET  82  -0.386   0.715  -4.239
    4    HB3  MET  82           HB3      MET  82  -0.967   1.439  -2.742
    5    HG2  MET  82           HG2      MET  82  -2.698   0.939  -5.183
    6    HG3  MET  82           HG3      MET  82  -2.616  -0.134  -3.787
    7    HE3  MET  82           HE1      MET  82  -4.344   1.510  -0.973
    8    HE2  MET  82           HE2      MET  82  -2.615   1.794  -1.157
    9    HE1  MET  82           HE3      MET  82  -3.298   0.234  -1.611

  No H/Q in entry =           9
  In of MODEL   64
    1    H    THR  83           H        THR  83   1.536   2.323  -4.890
    2    HA   THR  83           HA       THR  83   2.750   3.432  -2.590
    3    HB   THR  83           HB       THR  83   4.845   3.383  -4.064
    4    HG1  THR  83           HG1      THR  83   4.607   2.855  -6.088
    5   HG22  THR  83          HG21      THR  83   4.410   0.723  -4.395
    6   HG21  THR  83          HG22      THR  83   3.119   1.099  -3.255
    7   HG23  THR  83          HG23      THR  83   4.797   1.448  -2.836

  No H/Q in entry =           7
  In of MODEL   64
    1    H    SER  84           H        SER  84   2.375   4.709  -5.891
    2    HA   SER  84           HA       SER  84   3.706   7.154  -5.436
    3    HB2  SER  84           HB2      SER  84   1.639   6.314  -7.455
    4    HB3  SER  84           HB3      SER  84   2.311   7.944  -7.430
    5    HG   SER  84           HG       SER  84   3.692   5.473  -7.721

  No H/Q in entry =           5
  In of MODEL   64
    1    H    MET  85           H        MET  85   0.214   6.386  -5.264
    2    HA   MET  85           HA       MET  85  -0.656   8.993  -4.664
    3    HB2  MET  85           HB2      MET  85  -2.129   7.090  -5.323
    4    HB3  MET  85           HB3      MET  85  -1.907   6.421  -3.706
    5    HG2  MET  85           HG2      MET  85  -2.950   8.317  -2.678
    6    HG3  MET  85           HG3      MET  85  -2.917   9.233  -4.184
    7    HE2  MET  85           HE1      MET  85  -4.686   6.706  -1.963
    8    HE1  MET  85           HE2      MET  85  -3.915   5.588  -3.085
    9    HE3  MET  85           HE3      MET  85  -5.669   5.730  -3.061

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LEU  86           H        LEU  86   0.273   6.334  -2.519
    2    HA   LEU  86           HA       LEU  86  -0.264   7.636  -0.077
    3    HB2  LEU  86           HB2      LEU  86   0.207   5.166  -0.471
    4    HB3  LEU  86           HB3      LEU  86   1.913   5.601  -0.566
    5    HG   LEU  86           HG       LEU  86   1.585   6.761   1.702
    6   HD11  LEU  86          HD11      LEU  86  -1.108   5.988   1.231
    7   HD13  LEU  86          HD12      LEU  86  -0.443   6.737   2.681
    8   HD12  LEU  86          HD13      LEU  86  -0.530   4.980   2.562
    9   HD23  LEU  86          HD21      LEU  86   1.164   3.767   1.824
   10   HD22  LEU  86          HD22      LEU  86   2.164   4.780   2.864
   11   HD21  LEU  86          HD23      LEU  86   2.665   4.456   1.205

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ALA  87           H        ALA  87   2.717   7.349  -1.967
    2    HA   ALA  87           HA       ALA  87   4.420   8.763  -0.242
    3    HB3  ALA  87           HB1      ALA  87   4.517   7.750  -2.950
    4    HB2  ALA  87           HB2      ALA  87   5.851   8.084  -1.849
    5    HB1  ALA  87           HB3      ALA  87   5.233   9.363  -2.893

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ARG  88           H        ARG  88   2.470   9.895  -2.963
    2    HA   ARG  88           HA       ARG  88   3.239  12.586  -2.846
    3    HB2  ARG  88           HB2      ARG  88   1.987  11.431  -4.703
    4    HB3  ARG  88           HB3      ARG  88   0.530  11.571  -3.719
    5    HG2  ARG  88           HG2      ARG  88   1.545  14.153  -3.636
    6    HG3  ARG  88           HG3      ARG  88   1.970  13.640  -5.267
    7    HD2  ARG  88           HD2      ARG  88  -0.172  13.717  -5.964
    8    HD3  ARG  88           HD3      ARG  88  -0.757  12.863  -4.536
    9    HE   ARG  88           HE       ARG  88  -0.950  15.640  -4.953
   10   HH11  ARG  88          HH11      ARG  88   0.069  13.379  -2.580
   11   HH12  ARG  88          HH12      ARG  88  -0.323  14.393  -1.238
   12   HH21  ARG  88          HH21      ARG  88  -1.479  16.968  -3.215
   13   HH22  ARG  88          HH22      ARG  88  -1.182  16.431  -1.598

  No H/Q in entry =          13
  In of MODEL   64
    1    H    GLU  89           H        GLU  89   0.538  10.908  -1.205
    2    HA   GLU  89           HA       GLU  89  -0.571  13.218   0.001
    3    HB2  GLU  89           HB2      GLU  89  -1.687  10.978  -0.086
    4    HB3  GLU  89           HB3      GLU  89  -0.562  10.423   1.154
    5    HG2  GLU  89           HG2      GLU  89  -1.383  12.121   2.714
    6    HG3  GLU  89           HG3      GLU  89  -2.437  12.791   1.471

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LEU  90           H        LEU  90   1.882  10.928   1.173
    2    HA   LEU  90           HA       LEU  90   2.238  12.172   3.703
    3    HB2  LEU  90           HB2      LEU  90   4.012  10.400   2.025
    4    HB3  LEU  90           HB3      LEU  90   4.431  10.916   3.663
    5    HG   LEU  90           HG       LEU  90   1.797   9.569   3.003
    6   HD12  LEU  90          HD11      LEU  90   2.939   7.523   4.010
    7   HD11  LEU  90          HD12      LEU  90   4.461   8.380   3.768
    8   HD13  LEU  90          HD13      LEU  90   3.448   7.973   2.381
    9   HD22  LEU  90          HD21      LEU  90   1.533  10.492   5.125
   10   HD21  LEU  90          HD22      LEU  90   3.251  10.385   5.507
   11   HD23  LEU  90          HD23      LEU  90   2.245   8.937   5.555

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  91           H        ILE  91   3.840  12.556   0.576
    2    HA   ILE  91           HA       ILE  91   5.817  14.388   1.415
    3    HB   ILE  91           HB       ILE  91   4.504  13.898  -1.265
    4   HG12  ILE  91          HG12      ILE  91   7.337  13.410  -0.292
    5   HG13  ILE  91          HG13      ILE  91   6.056  12.213  -0.129
    6   HG22  ILE  91          HG21      ILE  91   6.727  15.245  -1.954
    7   HG21  ILE  91          HG22      ILE  91   6.417  16.045  -0.412
    8   HG23  ILE  91          HG23      ILE  91   5.194  16.074  -1.681
    9   HD13  ILE  91          HD11      ILE  91   5.882  11.890  -2.437
   10   HD12  ILE  91          HD12      ILE  91   7.616  12.133  -2.224
   11   HD11  ILE  91          HD13      ILE  91   6.605  13.456  -2.809

  No H/Q in entry =          11
  In of MODEL   64
    1    H    THR  92           H        THR  92   2.455  14.820   0.408
    2    HA   THR  92           HA       THR  92   2.429  17.644   0.349
    3    HB   THR  92           HB       THR  92   0.261  15.649   1.048
    4    HG1  THR  92           HG1      THR  92   0.565  15.471  -1.037
    5   HG22  THR  92          HG21      THR  92  -1.140  17.812   0.328
    6   HG21  THR  92          HG22      THR  92   0.253  18.636   1.025
    7   HG23  THR  92          HG23      THR  92  -0.688  17.515   2.006

  No H/Q in entry =           7
  In of MODEL   64
    1    H    GLU  93           H        GLU  93   1.881  15.343   3.002
    2    HA   GLU  93           HA       GLU  93   1.350  17.246   5.022
    3    HB2  GLU  93           HB2      GLU  93   2.663  14.521   5.256
    4    HB3  GLU  93           HB3      GLU  93   1.973  15.448   6.590
    5    HG2  GLU  93           HG2      GLU  93   0.359  14.671   4.151
    6    HG3  GLU  93           HG3      GLU  93   0.461  13.648   5.579

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LEU  94           H        LEU  94   4.356  15.764   3.870
    2    HA   LEU  94           HA       LEU  94   6.108  16.910   5.758
    3    HB2  LEU  94           HB2      LEU  94   6.508  15.943   2.926
    4    HB3  LEU  94           HB3      LEU  94   7.838  16.600   3.875
    5    HG   LEU  94           HG       LEU  94   6.098  14.405   5.010
    6   HD11  LEU  94          HD11      LEU  94   8.193  14.179   2.878
    7   HD13  LEU  94          HD12      LEU  94   6.746  13.205   3.140
    8   HD12  LEU  94          HD13      LEU  94   8.172  12.952   4.146
    9   HD23  LEU  94          HD21      LEU  94   8.288  13.867   6.162
   10   HD22  LEU  94          HD22      LEU  94   7.622  15.445   6.579
   11   HD21  LEU  94          HD23      LEU  94   8.960  15.325   5.436

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  95           H        ILE  95   4.968  18.083   2.609
    2    HA   ILE  95           HA       ILE  95   6.540  20.440   2.549
    3    HB   ILE  95           HB       ILE  95   3.896  19.757   1.245
    4   HG12  ILE  95          HG12      ILE  95   6.684  20.094   0.107
    5   HG13  ILE  95          HG13      ILE  95   6.034  18.541   0.621
    6   HG21  ILE  95          HG21      ILE  95   5.646  22.224   1.025
    7   HG23  ILE  95          HG22      ILE  95   3.921  22.157   1.381
    8   HG22  ILE  95          HG23      ILE  95   4.503  21.757  -0.235
    9   HD13  ILE  95          HD11      ILE  95   4.474  18.466  -1.107
   10   HD12  ILE  95          HD12      ILE  95   5.823  19.284  -1.895
   11   HD11  ILE  95          HD13      ILE  95   4.451  20.219  -1.302

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLU  96           H        GLU  96   3.292  19.789   3.846
    2    HA   GLU  96           HA       GLU  96   2.673  22.436   4.598
    3    HB2  GLU  96           HB2      GLU  96   0.998  20.653   4.610
    4    HB3  GLU  96           HB3      GLU  96   1.860  19.825   5.904
    5    HG2  GLU  96           HG2      GLU  96   0.840  21.108   7.475
    6    HG3  GLU  96           HG3      GLU  96   1.376  22.582   6.678

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LEU  97           H        LEU  97   4.515  19.883   6.222
    2    HA   LEU  97           HA       LEU  97   4.874  21.231   8.693
    3    HB2  LEU  97           HB2      LEU  97   6.410  19.061   7.277
    4    HB3  LEU  97           HB3      LEU  97   7.001  19.745   8.789
    5    HG   LEU  97           HG       LEU  97   4.190  18.654   8.479
    6   HD12  LEU  97          HD11      LEU  97   5.129  16.640   9.691
    7   HD11  LEU  97          HD12      LEU  97   6.741  17.270   9.346
    8   HD13  LEU  97          HD13      LEU  97   5.670  16.814   8.021
    9   HD23  LEU  97          HD21      LEU  97   4.644  18.358  11.043
   10   HD22  LEU  97          HD22      LEU  97   4.265  19.970  10.439
   11   HD21  LEU  97          HD23      LEU  97   5.936  19.529  10.784

  No H/Q in entry =          11
  In of MODEL   64
    1    H    HIS  98           H        HIS  98   6.744  21.246   5.666
    2    HA   HIS  98           HA       HIS  98   8.899  22.824   6.565
    3    HB2  HIS  98           HB2      HIS  98   7.605  22.571   3.840
    4    HB3  HIS  98           HB3      HIS  98   9.046  23.548   4.130
    5    HD1  HIS  98           HD1      HIS  98   7.831  19.978   4.149
    6    HD2  HIS  98           HD2      HIS  98  11.415  22.071   4.573
    7    HE1  HIS  98           HE1      HIS  98   9.684  18.247   4.091
    8    HE2  HIS  98           HE2      HIS  98  11.870  19.501   4.349

  No H/Q in entry =           8
  In of MODEL   64
    1    H    GLU  99           H        GLU  99   5.679  23.662   5.392
    2    HA   GLU  99           HA       GLU  99   6.061  26.477   5.334
    3    HB2  GLU  99           HB2      GLU  99   4.180  25.310   4.204
    4    HB3  GLU  99           HB3      GLU  99   3.484  24.949   5.783
    5    HG2  GLU  99           HG2      GLU  99   3.307  27.341   6.285
    6    HG3  GLU  99           HG3      GLU  99   4.083  27.740   4.756

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LYS 100           H        LYS 100   4.929  24.242   7.856
    2    HA   LYS 100           HA       LYS 100   4.345  26.296   9.751
    3    HB2  LYS 100           HB2      LYS 100   4.917  23.344  10.095
    4    HB3  LYS 100           HB3      LYS 100   4.472  24.417  11.428
    5    HG2  LYS 100           HG2      LYS 100   2.406  25.057  10.181
    6    HG3  LYS 100           HG3      LYS 100   2.831  23.888   8.928
    7    HD2  LYS 100           HD2      LYS 100   2.752  22.067  10.589
    8    HD3  LYS 100           HD3      LYS 100   2.344  23.230  11.853
    9    HE2  LYS 100           HE2      LYS 100   0.291  23.854  10.591
   10    HE3  LYS 100           HE3      LYS 100   0.689  22.634   9.374
   11    HZ1  LYS 100           HZ1      LYS 100   0.423  21.967  12.255
   12    HZ3  LYS 100           HZ2      LYS 100   0.406  20.914  10.920
   13    HZ2  LYS 100           HZ3      LYS 100  -0.908  21.955  11.200

  No H/Q in entry =          13
  In of MODEL   64
    1    H    LEU 101           H        LEU 101   7.266  24.497   8.915
    2    HA   LEU 101           HA       LEU 101   8.867  25.333  11.119
    3    HB2  LEU 101           HB2      LEU 101   9.459  24.347   8.340
    4    HB3  LEU 101           HB3      LEU 101  10.762  25.010   9.321
    5    HG   LEU 101           HG       LEU 101   8.927  22.856  10.384
    6   HD12  LEU 101          HD11      LEU 101  10.978  21.358   9.775
    7   HD11  LEU 101          HD12      LEU 101  11.347  22.621   8.603
    8   HD13  LEU 101          HD13      LEU 101   9.817  21.750   8.509
    9   HD21  LEU 101          HD21      LEU 101  11.653  23.959  11.112
   10   HD23  LEU 101          HD22      LEU 101  11.108  22.387  11.691
   11   HD22  LEU 101          HD23      LEU 101  10.218  23.845  12.130

  No H/Q in entry =          11
  In of MODEL   64
    1    H    LYS 102           H        LYS 102   7.286  27.200   8.979
    2    HA   LYS 102           HA       LYS 102   7.367  29.493   8.688
    3    HB2  LYS 102           HB2      LYS 102   8.932  29.374  10.786
    4    HB3  LYS 102           HB3      LYS 102  10.232  29.567   9.626
    5    HG2  LYS 102           HG2      LYS 102   8.130  31.523  10.490
    6    HG3  LYS 102           HG3      LYS 102   9.843  31.780  10.238
    7    HD2  LYS 102           HD2      LYS 102   7.890  31.362   7.938
    8    HD3  LYS 102           HD3      LYS 102   8.276  32.940   8.607
    9    HE2  LYS 102           HE2      LYS 102   9.646  31.754   6.533
   10    HE3  LYS 102           HE3      LYS 102  10.265  33.059   7.544
   11    HZ2  LYS 102           HZ1      LYS 102  11.782  31.152   7.368
   12    HZ1  LYS 102           HZ2      LYS 102  10.619  30.171   8.110
   13    HZ3  LYS 102           HZ3      LYS 102  11.314  31.457   8.970

  No H/Q in entry =          13
  In of MODEL   64
    1    H    ALA 103           H        ALA 103  10.621  28.148   8.122
    2    HA   ALA 103           HA       ALA 103  11.587  29.524   6.046
    3    HB2  ALA 103           HB1      ALA 103  12.468  27.309   5.117
    4    HB1  ALA 103           HB2      ALA 103  11.572  26.536   6.423
    5    HB3  ALA 103           HB3      ALA 103  12.863  27.677   6.796

  No H/Q in entry =           5
  In of MODEL   64
    1    H1   LYS   3           H1       LYS   3 -31.330   5.962 -19.763
    2    H2   LYS   3           H3       LYS   3 -30.337   5.682 -21.112
    3    H3   LYS   3           H2       LYS   3 -31.720   4.728 -20.862
    4    HA   LYS   3           HA       LYS   3 -30.700   3.358 -19.453
    5    HB2  LYS   3           HB2      LYS   3 -28.436   4.795 -20.788
    6    HB3  LYS   3           HB3      LYS   3 -28.096   3.595 -19.541
    7    HG2  LYS   3           HG2      LYS   3 -29.497   1.986 -20.887
    8    HG3  LYS   3           HG3      LYS   3 -29.465   3.183 -22.182
    9    HD2  LYS   3           HD2      LYS   3 -26.982   3.102 -22.129
   10    HD3  LYS   3           HD3      LYS   3 -27.084   1.805 -20.938
   11    HE2  LYS   3           HE2      LYS   3 -28.566   0.605 -22.651
   12    HE3  LYS   3           HE3      LYS   3 -27.961   1.786 -23.811
   13    HZ3  LYS   3           HZ1      LYS   3 -26.147   0.581 -24.075
   14    HZ2  LYS   3           HZ2      LYS   3 -26.762  -0.591 -23.011
   15    HZ1  LYS   3           HZ3      LYS   3 -25.790   0.667 -22.417

  No H/Q in entry =          15
  In of MODEL   64
    1    H    LYS   4           H        LYS   4 -30.752   3.222 -17.391
    2    HA   LYS   4           HA       LYS   4 -30.052   5.522 -15.748
    3    HB2  LYS   4           HB2      LYS   4 -31.221   2.818 -15.040
    4    HB3  LYS   4           HB3      LYS   4 -31.016   4.162 -13.919
    5    HG2  LYS   4           HG2      LYS   4 -32.822   4.069 -16.341
    6    HG3  LYS   4           HG3      LYS   4 -33.314   4.120 -14.649
    7    HD2  LYS   4           HD2      LYS   4 -32.645   6.352 -14.390
    8    HD3  LYS   4           HD3      LYS   4 -31.603   6.300 -15.812
    9    HE2  LYS   4           HE2      LYS   4 -33.546   7.650 -16.281
   10    HE3  LYS   4           HE3      LYS   4 -33.607   6.173 -17.243
   11    HZ3  LYS   4           HZ1      LYS   4 -35.173   5.248 -15.694
   12    HZ2  LYS   4           HZ2      LYS   4 -35.746   6.734 -16.284
   13    HZ1  LYS   4           HZ3      LYS   4 -35.089   6.636 -14.721

  No H/Q in entry =          13
  In of MODEL   64
    1    H    HIS   5           H        HIS   5 -28.586   5.630 -14.156
    2    HA   HIS   5           HA       HIS   5 -26.282   3.825 -14.480
    3    HB2  HIS   5           HB2      HIS   5 -26.568   6.581 -13.283
    4    HB3  HIS   5           HB3      HIS   5 -25.076   5.644 -13.262
    5    HD1  HIS   5           HD1      HIS   5 -23.619   6.854 -14.855
    6    HD2  HIS   5           HD2      HIS   5 -27.411   6.187 -16.409
    7    HE1  HIS   5           HE1      HIS   5 -23.456   7.428 -17.306
    8    HE2  HIS   5           HE2      HIS   5 -25.768   7.009 -18.223

  No H/Q in entry =           8
  In of MODEL   64
    1    H    ILE   6           H        ILE   6 -26.037   2.260 -13.158
    2    HA   ILE   6           HA       ILE   6 -27.017   2.527 -10.395
    3    HB   ILE   6           HB       ILE   6 -26.166   0.064 -11.924
    4   HG12  ILE   6          HG12      ILE   6 -28.919   0.974 -11.077
    5   HG13  ILE   6          HG13      ILE   6 -28.277   1.138 -12.712
    6   HG23  ILE   6          HG21      ILE   6 -26.527  -1.186 -10.059
    7   HG22  ILE   6          HG22      ILE   6 -27.696  -0.049  -9.385
    8   HG21  ILE   6          HG23      ILE   6 -25.971   0.305  -9.295
    9   HD13  ILE   6          HD11      ILE   6 -28.715  -0.988 -13.205
   10   HD12  ILE   6          HD12      ILE   6 -29.731  -0.976 -11.763
   11   HD11  ILE   6          HD13      ILE   6 -28.071  -1.566 -11.668

  No H/Q in entry =          11
  In of MODEL   64
    1    H    TYR   7           H        TYR   7 -25.266   3.190  -9.109
    2    HA   TYR   7           HA       TYR   7 -22.544   2.258  -9.784
    3    HB2  TYR   7           HB2      TYR   7 -23.533   4.688  -8.312
    4    HB3  TYR   7           HB3      TYR   7 -21.844   4.189  -8.348
    5    HD1  TYR   7           HD1      TYR   7 -22.239   6.812  -9.221
    6    HD2  TYR   7           HD2      TYR   7 -22.872   3.225 -11.436
    7    HE1  TYR   7           HE1      TYR   7 -21.860   8.044 -11.308
    8    HE2  TYR   7           HE2      TYR   7 -22.451   4.452 -13.531
    9    HH   TYR   7           HH       TYR   7 -22.076   7.948 -13.540

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LEU   8           H        LEU   8 -21.567   0.920  -8.450
    2    HA   LEU   8           HA       LEU   8 -22.693   0.424  -5.765
    3    HB2  LEU   8           HB2      LEU   8 -20.974  -1.229  -7.592
    4    HB3  LEU   8           HB3      LEU   8 -21.156  -1.607  -5.880
    5    HG   LEU   8           HG       LEU   8 -23.635  -1.805  -6.304
    6   HD13  LEU   8          HD11      LEU   8 -23.775  -0.597  -8.417
    7   HD12  LEU   8          HD12      LEU   8 -24.288  -2.268  -8.652
    8   HD11  LEU   8          HD13      LEU   8 -22.685  -1.756  -9.178
    9   HD23  LEU   8          HD21      LEU   8 -22.340  -3.839  -7.989
   10   HD22  LEU   8          HD22      LEU   8 -23.425  -4.012  -6.612
   11   HD21  LEU   8          HD23      LEU   8 -21.722  -3.642  -6.350

  No H/Q in entry =          11
  In of MODEL   64
    1    H    PHE   9           H        PHE   9 -21.282   0.632  -3.908
    2    HA   PHE   9           HA       PHE   9 -18.522   1.522  -4.540
    3    HB2  PHE   9           HB2      PHE   9 -20.340   2.440  -2.305
    4    HB3  PHE   9           HB3      PHE   9 -18.631   2.852  -2.436
    5    HD1  PHE   9           HD1      PHE   9 -21.984   3.518  -3.655
    6    HD2  PHE   9           HD2      PHE   9 -17.808   4.159  -4.418
    7    HE1  PHE   9           HE1      PHE   9 -22.553   5.367  -5.205
    8    HE2  PHE   9           HE2      PHE   9 -18.377   6.008  -5.971
    9    HZ   PHE   9           HZ       PHE   9 -20.750   6.612  -6.364

  No H/Q in entry =           9
  In of MODEL   64
    1    H    CYS  10           H        CYS  10 -16.917   0.897  -3.236
    2    HA   CYS  10           HA       CYS  10 -17.181  -0.780  -0.905
    3    HB2  CYS  10           HB2      CYS  10 -16.119  -2.733  -1.703
    4    HB3  CYS  10           HB3      CYS  10 -17.261  -2.328  -2.988

  No H/Q in entry =           4
  In of MODEL   64
    1    H    SER  11           H        SER  11 -14.462  -1.474  -0.392
    2    HA   SER  11           HA       SER  11 -13.471   1.125   0.015
    3    HB2  SER  11           HB2      SER  11 -12.567  -0.479   1.464
    4    HB3  SER  11           HB3      SER  11 -12.165  -1.577   0.160
    5    HG   SER  11           HG       SER  11 -11.025   0.952   0.076

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA  12           H        ALA  12 -12.196  -1.350  -2.342
    2    HA   ALA  12           HA       ALA  12 -10.813   0.892  -3.656
    3    HB1  ALA  12           HB1      ALA  12 -10.100  -1.842  -3.049
    4    HB3  ALA  12           HB2      ALA  12  -9.075  -0.529  -3.627
    5    HB2  ALA  12           HB3      ALA  12  -9.951  -1.536  -4.779

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLY  13           H        GLY  13 -12.914  -1.889  -4.289
    2    HA3  GLY  13           HA2      GLY  13 -14.747  -1.505  -5.894
    3    HA2  GLY  13           HA3      GLY  13 -13.557  -0.716  -6.922

  No H/Q in entry =           3
  In of MODEL   64
    1    H    MET  14           H        MET  14 -12.687  -3.692  -5.202
    2    HA   MET  14           HA       MET  14 -12.568  -4.987  -7.849
    3    HB2  MET  14           HB2      MET  14 -10.458  -4.736  -6.496
    4    HB3  MET  14           HB3      MET  14 -11.150  -5.869  -5.336
    5    HG2  MET  14           HG2      MET  14 -11.557  -7.359  -7.465
    6    HG3  MET  14           HG3      MET  14 -10.294  -6.355  -8.175
    7    HE3  MET  14           HE1      MET  14  -7.908  -7.504  -8.207
    8    HE2  MET  14           HE2      MET  14  -7.109  -7.237  -6.660
    9    HE1  MET  14           HE3      MET  14  -8.113  -5.968  -7.356

  No H/Q in entry =           9
  In of MODEL   64
    1    H    SER  15           H        SER  15 -12.849  -6.302  -4.567
    2    HA   SER  15           HA       SER  15 -14.095  -8.651  -5.182
    3    HB2  SER  15           HB2      SER  15 -15.128  -7.124  -2.827
    4    HB3  SER  15           HB3      SER  15 -14.731  -8.837  -2.967
    5    HG   SER  15           HG       SER  15 -12.540  -8.238  -3.115

  No H/Q in entry =           5
  In of MODEL   64
    1    H    THR  16           H        THR  16 -15.520  -5.462  -5.468
    2    HA   THR  16           HA       THR  16 -18.201  -6.682  -5.633
    3    HB   THR  16           HB       THR  16 -17.454  -3.764  -5.943
    4    HG1  THR  16           HG1      THR  16 -18.669  -4.424  -3.637
    5   HG23  THR  16          HG21      THR  16 -19.619  -4.055  -6.801
    6   HG22  THR  16          HG22      THR  16 -19.918  -3.625  -5.115
    7   HG21  THR  16          HG23      THR  16 -20.017  -5.311  -5.626

  No H/Q in entry =           7
  In of MODEL   64
    1    H    SER  17           H        SER  17 -15.588  -5.768  -7.467
    2    HA   SER  17           HA       SER  17 -16.718  -5.049  -9.973
    3    HB2  SER  17           HB2      SER  17 -14.078  -6.332  -9.259
    4    HB3  SER  17           HB3      SER  17 -14.522  -5.925 -10.910
    5    HG   SER  17           HG       SER  17 -14.731  -4.025  -8.842

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  18           H        LEU  18 -16.119  -8.182  -8.511
    2    HA   LEU  18           HA       LEU  18 -16.685  -9.698 -10.862
    3    HB2  LEU  18           HB2      LEU  18 -15.475 -10.658  -8.924
    4    HB3  LEU  18           HB3      LEU  18 -16.921 -10.467  -7.934
    5    HG   LEU  18           HG       LEU  18 -18.153 -11.959  -9.507
    6   HD11  LEU  18          HD11      LEU  18 -15.555 -11.772 -10.943
    7   HD13  LEU  18          HD12      LEU  18 -17.180 -12.022 -11.579
    8   HD12  LEU  18          HD13      LEU  18 -16.288 -13.376 -10.890
    9   HD23  LEU  18          HD21      LEU  18 -15.647 -13.367  -8.594
   10   HD22  LEU  18          HD22      LEU  18 -17.313 -13.947  -8.559
   11   HD21  LEU  18          HD23      LEU  18 -16.788 -12.705  -7.422

  No H/Q in entry =          11
  In of MODEL   64
    1    H    LEU  19           H        LEU  19 -18.671  -8.500  -8.159
    2    HA   LEU  19           HA       LEU  19 -21.121  -9.713  -8.991
    3    HB2  LEU  19           HB2      LEU  19 -20.904  -8.866  -6.718
    4    HB3  LEU  19           HB3      LEU  19 -20.563  -7.247  -7.315
    5    HG   LEU  19           HG       LEU  19 -22.885  -7.235  -8.348
    6   HD12  LEU  19          HD11      LEU  19 -23.670  -9.439  -6.481
    7   HD11  LEU  19          HD12      LEU  19 -22.982  -9.897  -8.028
    8   HD13  LEU  19          HD13      LEU  19 -24.432  -8.911  -7.977
    9   HD21  LEU  19          HD21      LEU  19 -22.127  -6.416  -5.937
   10   HD23  LEU  19          HD22      LEU  19 -23.197  -7.712  -5.408
   11   HD22  LEU  19          HD23      LEU  19 -23.826  -6.401  -6.404

  No H/Q in entry =          11
  In of MODEL   64
    1    H    VAL  20           H        VAL  20 -19.657  -6.539  -9.696
    2    HA   VAL  20           HA       VAL  20 -21.777  -5.527 -11.272
    3    HB   VAL  20           HB       VAL  20 -18.800  -4.966 -11.366
    4   HG11  VAL  20          HG11      VAL  20 -21.005  -4.079 -13.127
    5   HG13  VAL  20          HG12      VAL  20 -19.263  -4.028 -13.391
    6   HG12  VAL  20          HG13      VAL  20 -20.048  -2.759 -12.455
    7   HG21  VAL  20          HG21      VAL  20 -21.190  -3.659 -10.053
    8   HG23  VAL  20          HG22      VAL  20 -19.675  -2.791 -10.301
    9   HG22  VAL  20          HG23      VAL  20 -19.709  -4.236  -9.291

  No H/Q in entry =           9
  In of MODEL   64
    1    H    SER  21           H        SER  21 -18.996  -7.551 -12.287
    2    HA   SER  21           HA       SER  21 -19.777  -7.458 -15.039
    3    HB2  SER  21           HB2      SER  21 -18.317  -9.440 -15.328
    4    HB3  SER  21           HB3      SER  21 -17.502  -8.191 -14.392
    5    HG   SER  21           HG       SER  21 -17.590  -9.421 -12.664

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LYS  22           H        LYS  22 -20.823  -9.646 -12.462
    2    HA   LYS  22           HA       LYS  22 -22.341 -11.289 -14.280
    3    HB2  LYS  22           HB2      LYS  22 -21.515 -11.686 -11.763
    4    HB3  LYS  22           HB3      LYS  22 -23.111 -11.028 -11.403
    5    HG2  LYS  22           HG2      LYS  22 -23.411 -13.378 -11.554
    6    HG3  LYS  22           HG3      LYS  22 -24.042 -12.723 -13.058
    7    HD2  LYS  22           HD2      LYS  22 -22.600 -14.001 -14.247
    8    HD3  LYS  22           HD3      LYS  22 -21.242 -13.206 -13.464
    9    HE2  LYS  22           HE2      LYS  22 -20.867 -14.966 -12.052
   10    HE3  LYS  22           HE3      LYS  22 -22.581 -15.316 -11.843
   11    HZ1  LYS  22           HZ1      LYS  22 -22.492 -16.093 -14.244
   12    HZ3  LYS  22           HZ2      LYS  22 -21.777 -17.092 -13.070
   13    HZ2  LYS  22           HZ3      LYS  22 -20.806 -16.109 -14.060

  No H/Q in entry =          13
  In of MODEL   64
    1    H    MET  23           H        MET  23 -23.098  -8.367 -12.424
    2    HA   MET  23           HA       MET  23 -25.904  -8.475 -12.935
    3    HB2  MET  23           HB2      MET  23 -24.080  -6.146 -12.367
    4    HB3  MET  23           HB3      MET  23 -25.826  -5.995 -12.549
    5    HG2  MET  23           HG2      MET  23 -26.209  -7.295 -10.575
    6    HG3  MET  23           HG3      MET  23 -24.495  -7.690 -10.445
    7    HE2  MET  23           HE1      MET  23 -26.830  -4.056  -9.273
    8    HE1  MET  23           HE2      MET  23 -27.072  -5.032 -10.721
    9    HE3  MET  23           HE3      MET  23 -26.050  -3.595 -10.788

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ARG  24           H        ARG  24 -23.160  -7.027 -14.718
    2    HA   ARG  24           HA       ARG  24 -24.665  -5.748 -16.725
    3    HB2  ARG  24           HB2      ARG  24 -22.011  -5.802 -16.148
    4    HB3  ARG  24           HB3      ARG  24 -22.057  -6.845 -17.573
    5    HG2  ARG  24           HG2      ARG  24 -23.578  -4.990 -18.600
    6    HG3  ARG  24           HG3      ARG  24 -22.937  -3.968 -17.318
    7    HD2  ARG  24           HD2      ARG  24 -21.194  -5.503 -19.252
    8    HD3  ARG  24           HD3      ARG  24 -21.691  -3.835 -19.505
    9    HE   ARG  24           HE       ARG  24 -20.561  -3.864 -16.991
   10   HH11  ARG  24          HH11      ARG  24 -19.663  -4.781 -20.199
   11   HH12  ARG  24          HH12      ARG  24 -17.985  -4.408 -19.991
   12   HH21  ARG  24          HH21      ARG  24 -18.353  -3.361 -16.708
   13   HH22  ARG  24          HH22      ARG  24 -17.244  -3.604 -18.016

  No H/Q in entry =          13
  In of MODEL   64
    1    H    ALA  25           H        ALA  25 -23.516  -9.074 -16.436
    2    HA   ALA  25           HA       ALA  25 -24.131  -9.920 -19.071
    3    HB1  ALA  25           HB1      ALA  25 -23.420 -11.943 -18.368
    4    HB3  ALA  25           HB2      ALA  25 -24.480 -11.927 -16.959
    5    HB2  ALA  25           HB3      ALA  25 -22.933 -11.087 -16.906

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLN  26           H        GLN  26 -25.963  -9.964 -16.052
    2    HA   GLN  26           HA       GLN  26 -28.295 -11.188 -17.069
    3    HB2  GLN  26           HB2      GLN  26 -27.802  -9.430 -14.686
    4    HB3  GLN  26           HB3      GLN  26 -29.358 -10.167 -15.038
    5    HG2  GLN  26           HG2      GLN  26 -26.762 -11.602 -14.559
    6    HG3  GLN  26           HG3      GLN  26 -28.125 -11.507 -13.453
    7   HE21  GLN  26          HE21      GLN  26 -26.888 -13.665 -14.720
    8   HE22  GLN  26          HE22      GLN  26 -27.921 -14.723 -15.517

  No H/Q in entry =           8
  In of MODEL   64
    1    H    ALA  27           H        ALA  27 -27.389  -7.783 -16.685
    2    HA   ALA  27           HA       ALA  27 -29.886  -6.711 -17.477
    3    HB1  ALA  27           HB1      ALA  27 -28.088  -5.379 -16.361
    4    HB3  ALA  27           HB2      ALA  27 -28.682  -4.622 -17.841
    5    HB2  ALA  27           HB3      ALA  27 -27.140  -5.477 -17.846

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLU  28           H        GLU  28 -27.171  -7.918 -19.337
    2    HA   GLU  28           HA       GLU  28 -28.109  -6.891 -21.862
    3    HB2  GLU  28           HB2      GLU  28 -25.727  -7.555 -21.231
    4    HB3  GLU  28           HB3      GLU  28 -26.258  -9.223 -21.430
    5    HG2  GLU  28           HG2      GLU  28 -25.114  -8.442 -23.397
    6    HG3  GLU  28           HG3      GLU  28 -26.807  -8.779 -23.749

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LYS  29           H        LYS  29 -28.255  -9.995 -20.199
    2    HA   LYS  29           HA       LYS  29 -29.542 -11.479 -22.203
    3    HB2  LYS  29           HB2      LYS  29 -28.489 -12.450 -20.194
    4    HB3  LYS  29           HB3      LYS  29 -29.768 -11.752 -19.203
    5    HG2  LYS  29           HG2      LYS  29 -31.416 -13.138 -20.272
    6    HG3  LYS  29           HG3      LYS  29 -30.210 -13.767 -21.392
    7    HD2  LYS  29           HD2      LYS  29 -29.063 -14.921 -19.654
    8    HD3  LYS  29           HD3      LYS  29 -29.979 -14.085 -18.403
    9    HE2  LYS  29           HE2      LYS  29 -30.712 -16.440 -18.761
   10    HE3  LYS  29           HE3      LYS  29 -31.998 -15.258 -19.010
   11    HZ1  LYS  29           HZ1      LYS  29 -31.428 -15.391 -21.436
   12    HZ3  LYS  29           HZ2      LYS  29 -32.138 -16.783 -20.770
   13    HZ2  LYS  29           HZ3      LYS  29 -30.468 -16.742 -21.064

  No H/Q in entry =          13
  In of MODEL   64
    1    H    TYR  30           H        TYR  30 -30.956  -9.380 -19.706
    2    HA   TYR  30           HA       TYR  30 -33.612  -9.852 -20.951
    3    HB2  TYR  30           HB2      TYR  30 -32.974  -8.688 -18.231
    4    HB3  TYR  30           HB3      TYR  30 -34.588  -8.959 -18.887
    5    HD1  TYR  30           HD1      TYR  30 -31.655 -10.504 -17.389
    6    HD2  TYR  30           HD2      TYR  30 -35.480 -11.259 -19.098
    7    HE1  TYR  30           HE1      TYR  30 -31.549 -12.816 -16.591
    8    HE2  TYR  30           HE2      TYR  30 -35.374 -13.585 -18.298
    9    HH   TYR  30           HH       TYR  30 -33.168 -15.190 -17.683

  No H/Q in entry =           9
  In of MODEL   64
    1    H    GLU  31           H        GLU  31 -31.461  -7.844 -21.751
    2    HA   GLU  31           HA       GLU  31 -31.402  -5.688 -22.577
    3    HB2  GLU  31           HB2      GLU  31 -34.290  -6.428 -23.094
    4    HB3  GLU  31           HB3      GLU  31 -33.459  -5.055 -23.825
    5    HG2  GLU  31           HG2      GLU  31 -31.972  -6.483 -25.011
    6    HG3  GLU  31           HG3      GLU  31 -32.527  -7.900 -24.121

  No H/Q in entry =           6
  In of MODEL   64
    1    H    VAL  32           H        VAL  32 -31.608  -5.584 -19.846
    2    HA   VAL  32           HA       VAL  32 -33.489  -3.486 -19.195
    3    HB   VAL  32           HB       VAL  32 -31.092  -4.456 -17.607
    4   HG12  VAL  32          HG11      VAL  32 -32.638  -3.643 -15.716
    5   HG11  VAL  32          HG12      VAL  32 -33.477  -2.747 -16.983
    6   HG13  VAL  32          HG13      VAL  32 -31.774  -2.429 -16.660
    7   HG21  VAL  32          HG21      VAL  32 -32.843  -6.193 -18.296
    8   HG23  VAL  32          HG22      VAL  32 -33.893  -5.372 -17.140
    9   HG22  VAL  32          HG23      VAL  32 -32.371  -6.082 -16.601

  No H/Q in entry =           9
  In of MODEL   64
    1    HA   PRO  33           HA       PRO  33 -30.480  -0.533 -20.866
    2    HB2  PRO  33           HB2      PRO  33 -32.012   1.676 -20.749
    3    HB3  PRO  33           HB3      PRO  33 -32.466   0.368 -21.842
    4    HG2  PRO  33           HG2      PRO  33 -33.445   0.880 -19.032
    5    HG3  PRO  33           HG3      PRO  33 -34.405   0.660 -20.496
    6    HD2  PRO  33           HD2      PRO  33 -33.933  -1.406 -18.826
    7    HD3  PRO  33           HD3      PRO  33 -33.989  -1.650 -20.572

  No H/Q in entry =           7
  In of MODEL   64
    1    H    VAL  34           H        VAL  34 -29.215  -1.063 -18.914
    2    HA   VAL  34           HA       VAL  34 -28.958   1.367 -17.269
    3    HB   VAL  34           HB       VAL  34 -28.367  -0.085 -15.329
    4   HG12  VAL  34          HG11      VAL  34 -30.771  -0.981 -15.024
    5   HG11  VAL  34          HG12      VAL  34 -31.092  -0.226 -16.585
    6   HG13  VAL  34          HG13      VAL  34 -30.551   0.758 -15.224
    7   HG21  VAL  34          HG21      VAL  34 -28.528  -2.116 -17.334
    8   HG23  VAL  34          HG22      VAL  34 -29.585  -2.485 -15.970
    9   HG22  VAL  34          HG23      VAL  34 -27.870  -2.181 -15.699

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ILE  35           H        ILE  35 -26.987   1.823 -16.426
    2    HA   ILE  35           HA       ILE  35 -24.668   0.515 -17.683
    3    HB   ILE  35           HB       ILE  35 -25.098   3.402 -16.877
    4   HG12  ILE  35          HG12      ILE  35 -24.097   2.101 -19.418
    5   HG13  ILE  35          HG13      ILE  35 -25.734   2.706 -19.162
    6   HG21  ILE  35          HG21      ILE  35 -22.520   1.894 -17.178
    7   HG23  ILE  35          HG22      ILE  35 -22.988   3.070 -15.953
    8   HG22  ILE  35          HG23      ILE  35 -22.609   3.606 -17.589
    9   HD11  ILE  35          HD11      ILE  35 -24.356   4.915 -18.562
   10   HD13  ILE  35          HD12      ILE  35 -24.886   4.524 -20.198
   11   HD12  ILE  35          HD13      ILE  35 -23.231   4.172 -19.699

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ILE  36           H        ILE  36 -23.430  -0.494 -16.079
    2    HA   ILE  36           HA       ILE  36 -23.881   0.121 -13.211
    3    HB   ILE  36           HB       ILE  36 -23.025  -2.575 -14.314
    4   HG12  ILE  36          HG12      ILE  36 -25.842  -1.796 -13.556
    5   HG13  ILE  36          HG13      ILE  36 -25.267  -1.772 -15.224
    6   HG23  ILE  36          HG21      ILE  36 -23.371  -3.405 -12.200
    7   HG22  ILE  36          HG22      ILE  36 -24.513  -2.132 -11.764
    8   HG21  ILE  36          HG23      ILE  36 -22.786  -1.783 -11.832
    9   HD13  ILE  36          HD11      ILE  36 -25.410  -3.988 -15.427
   10   HD12  ILE  36          HD12      ILE  36 -26.479  -3.875 -14.030
   11   HD11  ILE  36          HD13      ILE  36 -24.777  -4.278 -13.807

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLU  37           H        GLU  37 -22.109   0.770 -12.104
    2    HA   GLU  37           HA       GLU  37 -19.409   0.000 -13.014
    3    HB2  GLU  37           HB2      GLU  37 -20.358   2.801 -12.417
    4    HB3  GLU  37           HB3      GLU  37 -18.657   2.342 -12.519
    5    HG2  GLU  37           HG2      GLU  37 -19.106   1.447 -14.824
    6    HG3  GLU  37           HG3      GLU  37 -20.737   2.104 -14.709

  No H/Q in entry =           6
  In of MODEL   64
    1    H    ALA  38           H        ALA  38 -17.923  -0.220 -11.329
    2    HA   ALA  38           HA       ALA  38 -18.961  -0.049  -8.559
    3    HB1  ALA  38           HB1      ALA  38 -17.224  -1.971  -9.980
    4    HB3  ALA  38           HB2      ALA  38 -18.274  -2.217  -8.584
    5    HB2  ALA  38           HB3      ALA  38 -16.669  -1.516  -8.369

  No H/Q in entry =           5
  In of MODEL   64
    1    H    PHE  39           H        PHE  39 -17.736   1.177  -7.086
    2    HA   PHE  39           HA       PHE  39 -15.223   2.406  -7.979
    3    HB2  PHE  39           HB2      PHE  39 -17.721   3.809  -6.978
    4    HB3  PHE  39           HB3      PHE  39 -16.162   4.601  -7.000
    5    HD1  PHE  39           HD1      PHE  39 -19.103   3.881  -8.831
    6    HD2  PHE  39           HD2      PHE  39 -14.897   4.605  -9.312
    7    HE1  PHE  39           HE1      PHE  39 -19.483   4.508 -11.197
    8    HE2  PHE  39           HE2      PHE  39 -15.278   5.235 -11.681
    9    HZ   PHE  39           HZ       PHE  39 -17.572   5.185 -12.624

  No H/Q in entry =           9
  In of MODEL   64
    1    HA   PRO  40           HA       PRO  40 -14.285   1.669  -3.690
    2    HB2  PRO  40           HB2      PRO  40 -12.559   3.677  -3.057
    3    HB3  PRO  40           HB3      PRO  40 -12.102   2.338  -4.130
    4    HG2  PRO  40           HG2      PRO  40 -12.941   5.113  -4.818
    5    HG3  PRO  40           HG3      PRO  40 -11.655   4.113  -5.516
    6    HD2  PRO  40           HD2      PRO  40 -14.081   4.426  -6.713
    7    HD3  PRO  40           HD3      PRO  40 -13.111   2.956  -6.893

  No H/Q in entry =           7
  In of MODEL   64
    1    H    GLU  41           H        GLU  41 -14.921   2.643  -1.563
    2    HA   GLU  41           HA       GLU  41 -17.187   4.317  -1.553
    3    HB2  GLU  41           HB2      GLU  41 -16.887   4.437   0.889
    4    HB3  GLU  41           HB3      GLU  41 -16.881   2.796   0.255
    5    HG2  GLU  41           HG2      GLU  41 -14.885   2.443   1.208
    6    HG3  GLU  41           HG3      GLU  41 -14.173   3.714   0.220

  No H/Q in entry =           6
  In of MODEL   64
    1    H    THR  42           H        THR  42 -13.868   5.277  -1.600
    2    HA   THR  42           HA       THR  42 -14.256   7.834  -0.392
    3    HB   THR  42           HB       THR  42 -12.093   8.411  -1.417
    4    HG1  THR  42           HG1      THR  42 -11.386   6.145  -2.498
    5   HG23  THR  42          HG21      THR  42 -11.271   7.279   0.360
    6   HG22  THR  42          HG22      THR  42 -11.131   5.866  -0.685
    7   HG21  THR  42          HG23      THR  42 -12.583   6.102   0.285

  No H/Q in entry =           7
  In of MODEL   64
    1    H    LEU  43           H        LEU  43 -15.141   6.723  -3.493
    2    HA   LEU  43           HA       LEU  43 -15.428   9.491  -4.468
    3    HB2  LEU  43           HB2      LEU  43 -15.678   6.836  -5.896
    4    HB3  LEU  43           HB3      LEU  43 -15.920   8.406  -6.645
    5    HG   LEU  43           HG       LEU  43 -13.347   7.665  -5.231
    6   HD11  LEU  43          HD11      LEU  43 -14.353   6.674  -7.767
    7   HD13  LEU  43          HD12      LEU  43 -12.831   6.307  -6.958
    8   HD12  LEU  43          HD13      LEU  43 -12.935   7.687  -8.044
    9   HD21  LEU  43          HD21      LEU  43 -14.089   9.816  -7.249
   10   HD23  LEU  43          HD22      LEU  43 -12.446   9.495  -6.698
   11   HD22  LEU  43          HD23      LEU  43 -13.653  10.074  -5.561

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ALA  44           H        ALA  44 -17.353   7.644  -2.615
    2    HA   ALA  44           HA       ALA  44 -19.826   7.468  -3.942
    3    HB2  ALA  44           HB1      ALA  44 -19.677   6.358  -1.843
    4    HB3  ALA  44           HB2      ALA  44 -20.803   7.688  -1.574
    5    HB1  ALA  44           HB3      ALA  44 -19.134   7.819  -1.020

  No H/Q in entry =           5
  In of MODEL   64
    1    H    GLY  45           H        GLY  45 -18.446  10.290  -2.411
    2    HA3  GLY  45           HA2      GLY  45 -20.902  11.757  -2.779
    3    HA2  GLY  45           HA3      GLY  45 -19.366  12.403  -2.200

  No H/Q in entry =           3
  In of MODEL   64
    1    H    GLU  46           H        GLU  46 -17.819  11.482  -4.486
    2    HA   GLU  46           HA       GLU  46 -18.483  13.686  -6.261
    3    HB2  GLU  46           HB2      GLU  46 -16.172  11.824  -5.923
    4    HB3  GLU  46           HB3      GLU  46 -16.414  12.549  -7.513
    5    HG2  GLU  46           HG2      GLU  46 -16.314  14.774  -6.600
    6    HG3  GLU  46           HG3      GLU  46 -16.344  14.160  -4.948

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LYS  47           H        LYS  47 -18.316  10.169  -6.689
    2    HA   LYS  47           HA       LYS  47 -19.412  10.369  -9.367
    3    HB2  LYS  47           HB2      LYS  47 -18.804   7.977  -7.621
    4    HB3  LYS  47           HB3      LYS  47 -19.359   7.887  -9.291
    5    HG2  LYS  47           HG2      LYS  47 -16.855   9.353  -8.431
    6    HG3  LYS  47           HG3      LYS  47 -16.858   7.693  -9.025
    7    HD2  LYS  47           HD2      LYS  47 -18.158   8.724 -11.063
    8    HD3  LYS  47           HD3      LYS  47 -17.459  10.243 -10.500
    9    HE2  LYS  47           HE2      LYS  47 -15.255   8.646 -10.410
   10    HE3  LYS  47           HE3      LYS  47 -16.132   7.905 -11.749
   11    HZ2  LYS  47           HZ1      LYS  47 -14.562   9.827 -12.262
   12    HZ1  LYS  47           HZ2      LYS  47 -15.764  10.829 -11.599
   13    HZ3  LYS  47           HZ3      LYS  47 -16.108   9.867 -12.958

  No H/Q in entry =          13
  In of MODEL   64
    1    H    GLY  48           H        GLY  48 -20.730   9.600  -6.220
    2    HA3  GLY  48           HA2      GLY  48 -23.099   8.383  -6.963
    3    HA2  GLY  48           HA3      GLY  48 -22.889   9.382  -5.525

  No H/Q in entry =           3
  In of MODEL   64
    1    H    GLN  49           H        GLN  49 -22.335  11.810  -7.100
    2    HA   GLN  49           HA       GLN  49 -24.908  12.887  -7.250
    3    HB2  GLN  49           HB2      GLN  49 -22.374  13.782  -8.607
    4    HB3  GLN  49           HB3      GLN  49 -23.849  14.729  -8.528
    5    HG2  GLN  49           HG2      GLN  49 -23.694  14.758  -6.090
    6    HG3  GLN  49           HG3      GLN  49 -22.232  13.792  -6.169
    7   HE21  GLN  49          HE21      GLN  49 -22.146  16.023  -4.900
    8   HE22  GLN  49          HE22      GLN  49 -21.238  17.290  -5.548

  No H/Q in entry =           8
  In of MODEL   64
    1    H    ASN  50           H        ASN  50 -23.201  11.025  -9.631
    2    HA   ASN  50           HA       ASN  50 -25.092  11.869 -11.718
    3    HB2  ASN  50           HB2      ASN  50 -22.491  10.363 -11.944
    4    HB3  ASN  50           HB3      ASN  50 -23.545  10.772 -13.290
    5   HD21  ASN  50          HD21      ASN  50 -20.923  11.655 -11.676
    6   HD22  ASN  50          HD22      ASN  50 -20.710  13.292 -12.022

  No H/Q in entry =           6
  In of MODEL   64
    1    H    ALA  51           H        ALA  51 -25.051   9.517  -9.467
    2    HA   ALA  51           HA       ALA  51 -25.805   7.359 -11.291
    3    HB2  ALA  51           HB1      ALA  51 -25.208   6.021  -9.601
    4    HB3  ALA  51           HB2      ALA  51 -26.342   6.817  -8.512
    5    HB1  ALA  51           HB3      ALA  51 -24.711   7.458  -8.708

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ASP  52           H        ASP  52 -27.797   6.279 -11.153
    2    HA   ASP  52           HA       ASP  52 -30.002   8.087 -10.495
    3    HB2  ASP  52           HB2      ASP  52 -29.777   5.582 -12.159
    4    HB3  ASP  52           HB3      ASP  52 -31.331   6.296 -11.729

  No H/Q in entry =           4
  In of MODEL   64
    1    H    VAL  53           H        VAL  53 -28.368   5.219  -9.471
    2    HA   VAL  53           HA       VAL  53 -29.814   5.334  -6.956
    3    HB   VAL  53           HB       VAL  53 -31.191   3.673  -8.200
    4   HG11  VAL  53          HG11      VAL  53 -29.431   2.831  -9.718
    5   HG13  VAL  53          HG12      VAL  53 -30.251   1.528  -8.857
    6   HG12  VAL  53          HG13      VAL  53 -28.647   2.051  -8.345
    7   HG23  VAL  53          HG21      VAL  53 -30.349   1.709  -6.503
    8   HG22  VAL  53          HG22      VAL  53 -31.494   3.001  -6.141
    9   HG21  VAL  53          HG23      VAL  53 -29.790   3.194  -5.730

  No H/Q in entry =           9
  In of MODEL   64
    1    H    VAL  54           H        VAL  54 -28.499   4.919  -5.298
    2    HA   VAL  54           HA       VAL  54 -25.728   4.101  -5.904
    3    HB   VAL  54           HB       VAL  54 -26.823   5.871  -3.659
    4   HG11  VAL  54          HG11      VAL  54 -24.227   4.480  -3.943
    5   HG13  VAL  54          HG12      VAL  54 -24.991   5.154  -2.504
    6   HG12  VAL  54          HG13      VAL  54 -24.095   6.206  -3.601
    7   HG22  VAL  54          HG21      VAL  54 -25.982   7.693  -4.761
    8   HG21  VAL  54          HG22      VAL  54 -26.516   6.694  -6.112
    9   HG23  VAL  54          HG23      VAL  54 -24.810   6.739  -5.671

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LEU  55           H        LEU  55 -25.116   2.188  -5.257
    2    HA   LEU  55           HA       LEU  55 -26.612   0.863  -3.081
    3    HB2  LEU  55           HB2      LEU  55 -25.039  -0.291  -5.372
    4    HB3  LEU  55           HB3      LEU  55 -25.791  -1.231  -4.083
    5    HG   LEU  55           HG       LEU  55 -27.241   0.336  -6.205
    6   HD13  LEU  55          HD11      LEU  55 -26.919  -1.515  -7.421
    7   HD12  LEU  55          HD12      LEU  55 -27.869  -2.399  -6.226
    8   HD11  LEU  55          HD13      LEU  55 -26.114  -2.314  -6.073
    9   HD23  LEU  55          HD21      LEU  55 -28.518  -1.621  -4.349
   10   HD22  LEU  55          HD22      LEU  55 -29.227  -0.248  -5.200
   11   HD21  LEU  55          HD23      LEU  55 -28.212   0.022  -3.783

  No H/Q in entry =          11
  In of MODEL   64
    1    H    LEU  56           H        LEU  56 -25.457   0.286  -1.273
    2    HA   LEU  56           HA       LEU  56 -22.527   0.713  -1.319
    3    HB2  LEU  56           HB2      LEU  56 -24.331   0.487   1.077
    4    HB3  LEU  56           HB3      LEU  56 -22.627   0.935   1.068
    5    HG   LEU  56           HG       LEU  56 -24.943   2.587   0.098
    6   HD11  LEU  56          HD11      LEU  56 -23.828   2.221   2.621
    7   HD13  LEU  56          HD12      LEU  56 -24.832   3.579   2.111
    8   HD12  LEU  56          HD13      LEU  56 -23.075   3.702   2.025
    9   HD23  LEU  56          HD21      LEU  56 -23.016   4.305  -0.096
   10   HD22  LEU  56          HD22      LEU  56 -23.384   3.203  -1.422
   11   HD21  LEU  56          HD23      LEU  56 -22.029   2.867  -0.345

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLY  57           H        GLY  57 -21.130  -0.901  -0.780
    2    HA3  GLY  57           HA2      GLY  57 -22.024  -3.598  -0.971
    3    HA2  GLY  57           HA3      GLY  57 -20.407  -3.084  -0.492

  No H/Q in entry =           3
  In of MODEL   64
    1    HA   PRO  58           HA       PRO  58 -23.313  -4.437   3.146
    2    HB2  PRO  58           HB2      PRO  58 -22.053  -6.859   3.698
    3    HB3  PRO  58           HB3      PRO  58 -23.562  -6.668   2.789
    4    HG2  PRO  58           HG2      PRO  58 -20.793  -7.077   1.796
    5    HG3  PRO  58           HG3      PRO  58 -22.327  -7.697   1.163
    6    HD2  PRO  58           HD2      PRO  58 -21.017  -5.615  -0.007
    7    HD3  PRO  58           HD3      PRO  58 -22.792  -5.740  -0.009

  No H/Q in entry =           7
  In of MODEL   64
    1    H    GLN  59           H        GLN  59 -19.835  -4.584   2.616
    2    HA   GLN  59           HA       GLN  59 -19.084  -4.588   5.378
    3    HB2  GLN  59           HB2      GLN  59 -17.534  -3.753   2.929
    4    HB3  GLN  59           HB3      GLN  59 -16.865  -3.878   4.545
    5    HG2  GLN  59           HG2      GLN  59 -16.956  -5.909   2.621
    6    HG3  GLN  59           HG3      GLN  59 -16.510  -6.088   4.300
    7   HE21  GLN  59          HE21      GLN  59 -17.626  -8.234   2.856
    8   HE22  GLN  59          HE22      GLN  59 -19.173  -8.578   3.466

  No H/Q in entry =           8
  In of MODEL   64
    1    H    ILE  60           H        ILE  60 -20.041  -2.052   3.163
    2    HA   ILE  60           HA       ILE  60 -19.212  -0.082   5.206
    3    HB   ILE  60           HB       ILE  60 -19.523   1.615   3.350
    4   HG12  ILE  60          HG12      ILE  60 -19.298  -0.749   1.492
    5   HG13  ILE  60          HG13      ILE  60 -20.874  -0.149   1.996
    6   HG21  ILE  60          HG21      ILE  60 -17.305   0.265   4.076
    7   HG23  ILE  60          HG22      ILE  60 -17.305   1.455   2.779
    8   HG22  ILE  60          HG23      ILE  60 -17.411  -0.262   2.397
    9   HD12  ILE  60          HD11      ILE  60 -18.766   1.232   0.349
   10   HD11  ILE  60          HD12      ILE  60 -19.946   2.186   1.247
   11   HD13  ILE  60          HD13      ILE  60 -20.488   1.050   0.018

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ALA  61           H        ALA  61 -21.651  -1.693   5.274
    2    HA   ALA  61           HA       ALA  61 -23.893  -0.052   4.808
    3    HB1  ALA  61           HB1      ALA  61 -25.095  -1.552   6.135
    4    HB2  ALA  61           HB2      ALA  61 -23.695  -1.924   7.140
    5    HB3  ALA  61           HB3      ALA  61 -23.781  -2.535   5.489

  No H/Q in entry =           5
  In of MODEL   64
    1    H    TYR  62           H        TYR  62 -21.689  -0.135   7.609
    2    HA   TYR  62           HA       TYR  62 -23.264   1.509   9.274
    3    HB2  TYR  62           HB2      TYR  62 -21.257   1.936  10.539
    4    HB3  TYR  62           HB3      TYR  62 -21.295   0.241  10.066
    5    HD1  TYR  62           HD1      TYR  62 -19.605   3.462   9.653
    6    HD2  TYR  62           HD2      TYR  62 -19.803  -0.606   8.286
    7    HE1  TYR  62           HE1      TYR  62 -17.375   3.709   8.595
    8    HE2  TYR  62           HE2      TYR  62 -17.571  -0.360   7.233
    9    HH   TYR  62           HH       TYR  62 -16.217   2.045   6.335

  No H/Q in entry =           9
  In of MODEL   64
    1    H    MET  63           H        MET  63 -21.626   2.379   6.419
    2    HA   MET  63           HA       MET  63 -21.488   5.213   7.107
    3    HB2  MET  63           HB2      MET  63 -20.845   3.706   4.558
    4    HB3  MET  63           HB3      MET  63 -20.611   5.439   4.783
    5    HG2  MET  63           HG2      MET  63 -19.014   5.059   6.559
    6    HG3  MET  63           HG3      MET  63 -19.360   3.331   6.554
    7    HE1  MET  63           HE1      MET  63 -18.586   6.220   4.084
    8    HE3  MET  63           HE2      MET  63 -16.981   5.782   3.507
    9    HE2  MET  63           HE3      MET  63 -17.224   6.157   5.211

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LEU  64           H        LEU  64 -24.033   3.333   6.142
    2    HA   LEU  64           HA       LEU  64 -25.253   4.735   4.059
    3    HB2  LEU  64           HB2      LEU  64 -26.103   2.623   4.980
    4    HB3  LEU  64           HB3      LEU  64 -26.569   3.463   6.458
    5    HG   LEU  64           HG       LEU  64 -28.275   4.700   5.225
    6   HD13  LEU  64          HD11      LEU  64 -27.991   4.939   2.992
    7   HD12  LEU  64          HD12      LEU  64 -28.622   3.297   2.850
    8   HD11  LEU  64          HD13      LEU  64 -26.880   3.573   2.910
    9   HD23  LEU  64          HD21      LEU  64 -28.766   1.881   4.482
   10   HD22  LEU  64          HD22      LEU  64 -29.766   3.007   5.399
   11   HD21  LEU  64          HD23      LEU  64 -28.385   2.228   6.168

  No H/Q in entry =          11
  In of MODEL   64
    1    HA   PRO  65           HA       PRO  65 -27.466   7.874   6.801
    2    HB2  PRO  65           HB2      PRO  65 -25.469   8.055   9.057
    3    HB3  PRO  65           HB3      PRO  65 -27.211   8.321   9.101
    4    HG2  PRO  65           HG2      PRO  65 -26.262   6.077  10.033
    5    HG3  PRO  65           HG3      PRO  65 -27.680   6.029   8.987
    6    HD2  PRO  65           HD2      PRO  65 -24.802   5.439   8.288
    7    HD3  PRO  65           HD3      PRO  65 -26.251   4.539   7.841

  No H/Q in entry =           7
  In of MODEL   64
    1    H    GLU  66           H        GLU  66 -23.910   7.850   6.878
    2    HA   GLU  66           HA       GLU  66 -23.635  10.650   6.468
    3    HB2  GLU  66           HB2      GLU  66 -21.802   8.356   5.824
    4    HB3  GLU  66           HB3      GLU  66 -21.367  10.052   5.613
    5    HG2  GLU  66           HG2      GLU  66 -21.584  10.426   7.980
    6    HG3  GLU  66           HG3      GLU  66 -22.096   8.755   8.215

  No H/Q in entry =           6
  In of MODEL   64
    1    H    ILE  67           H        ILE  67 -23.711   7.899   4.222
    2    HA   ILE  67           HA       ILE  67 -23.307   9.606   1.926
    3    HB   ILE  67           HB       ILE  67 -24.182   6.692   2.110
    4   HG12  ILE  67          HG12      ILE  67 -21.561   7.880   1.189
    5   HG13  ILE  67          HG13      ILE  67 -21.854   7.462   2.876
    6   HG21  ILE  67          HG21      ILE  67 -24.137   8.566  -0.119
    7   HG23  ILE  67          HG22      ILE  67 -24.749   6.914  -0.065
    8   HG22  ILE  67          HG23      ILE  67 -23.043   7.211  -0.392
    9   HD12  ILE  67          HD11      ILE  67 -21.418   5.689   0.530
   10   HD11  ILE  67          HD12      ILE  67 -22.429   5.112   1.852
   11   HD13  ILE  67          HD13      ILE  67 -20.760   5.589   2.163

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLN  68           H        GLN  68 -26.171   8.534   3.557
    2    HA   GLN  68           HA       GLN  68 -28.004   9.447   1.580
    3    HB2  GLN  68           HB2      GLN  68 -28.261   9.094   4.563
    4    HB3  GLN  68           HB3      GLN  68 -29.583   9.677   3.568
    5    HG2  GLN  68           HG2      GLN  68 -29.596   7.645   2.296
    6    HG3  GLN  68           HG3      GLN  68 -28.144   7.080   3.101
    7   HE21  GLN  68          HE21      GLN  68 -30.313   5.707   2.966
    8   HE22  GLN  68          HE22      GLN  68 -31.140   5.248   4.382

  No H/Q in entry =           8
  In of MODEL   64
    1    H    ARG  69           H        ARG  69 -26.413  11.130   4.316
    2    HA   ARG  69           HA       ARG  69 -27.792  13.603   3.904
    3    HB2  ARG  69           HB2      ARG  69 -25.443  12.690   5.496
    4    HB3  ARG  69           HB3      ARG  69 -25.533  14.409   5.134
    5    HG2  ARG  69           HG2      ARG  69 -27.850  14.440   6.104
    6    HG3  ARG  69           HG3      ARG  69 -27.632  12.752   6.581
    7    HD2  ARG  69           HD2      ARG  69 -25.954  15.118   7.492
    8    HD3  ARG  69           HD3      ARG  69 -27.079  14.208   8.487
    9    HE   ARG  69           HE       ARG  69 -24.461  13.290   7.541
   10   HH11  ARG  69          HH11      ARG  69 -27.416  12.729   9.237
   11   HH12  ARG  69          HH12      ARG  69 -26.804  11.388  10.149
   12   HH21  ARG  69          HH21      ARG  69 -23.643  11.533   8.741
   13   HH22  ARG  69          HH22      ARG  69 -24.668  10.714   9.871

  No H/Q in entry =          13
  In of MODEL   64
    1    H    LEU  70           H        LEU  70 -24.912  12.210   2.549
    2    HA   LEU  70           HA       LEU  70 -23.810  14.579   1.377
    3    HB2  LEU  70           HB2      LEU  70 -22.804  12.268   1.977
    4    HB3  LEU  70           HB3      LEU  70 -23.415  11.796   0.392
    5    HG   LEU  70           HG       LEU  70 -21.829  13.174  -0.695
    6   HD11  LEU  70          HD11      LEU  70 -21.013  14.028   2.092
    7   HD13  LEU  70          HD12      LEU  70 -21.713  15.056   0.841
    8   HD12  LEU  70          HD13      LEU  70 -20.097  14.383   0.624
    9   HD22  LEU  70          HD21      LEU  70 -20.387  11.466  -0.458
   10   HD21  LEU  70          HD22      LEU  70 -21.311  10.941   0.950
   11   HD23  LEU  70          HD23      LEU  70 -19.932  12.021   1.153

  No H/Q in entry =          11
  In of MODEL   64
    1    H    LEU  71           H        LEU  71 -25.951  12.023   0.265
    2    HA   LEU  71           HA       LEU  71 -26.480  13.504  -2.255
    3    HB2  LEU  71           HB2      LEU  71 -26.673  10.519  -1.803
    4    HB3  LEU  71           HB3      LEU  71 -26.804  11.376  -3.338
    5    HG   LEU  71           HG       LEU  71 -24.286  11.403  -1.675
    6   HD12  LEU  71          HD11      LEU  71 -24.330   9.770  -4.105
    7   HD11  LEU  71          HD12      LEU  71 -25.339   9.145  -2.801
    8   HD13  LEU  71          HD13      LEU  71 -23.621   9.432  -2.526
    9   HD22  LEU  71          HD21      LEU  71 -24.395  13.216  -3.173
   10   HD21  LEU  71          HD22      LEU  71 -24.887  12.169  -4.503
   11   HD23  LEU  71          HD23      LEU  71 -23.266  12.030  -3.824

  No H/Q in entry =          11
  In of MODEL   64
    1    HA   PRO  72           HA       PRO  72 -30.346  13.045   0.365
    2    HB2  PRO  72           HB2      PRO  72 -31.212  15.604   0.278
    3    HB3  PRO  72           HB3      PRO  72 -29.902  15.158   1.372
    4    HG2  PRO  72           HG2      PRO  72 -29.719  16.348  -1.385
    5    HG3  PRO  72           HG3      PRO  72 -28.954  16.904   0.105
    6    HD2  PRO  72           HD2      PRO  72 -27.611  15.347  -1.658
    7    HD3  PRO  72           HD3      PRO  72 -27.357  15.184   0.079

  No H/Q in entry =           7
  In of MODEL   64
    1    H    ASN  73           H        ASN  73 -29.724  13.996  -2.851
    2    HA   ASN  73           HA       ASN  73 -32.583  13.679  -3.485
    3    HB2  ASN  73           HB2      ASN  73 -32.119  14.783  -5.583
    4    HB3  ASN  73           HB3      ASN  73 -31.600  15.766  -4.223
    5   HD21  ASN  73          HD21      ASN  73 -30.802  15.808  -6.900
    6   HD22  ASN  73          HD22      ASN  73 -29.133  15.650  -7.092

  No H/Q in entry =           6
  In of MODEL   64
    1    H    LYS  74           H        LYS  74 -30.597  11.429  -3.054
    2    HA   LYS  74           HA       LYS  74 -31.161  10.028  -5.600
    3    HB2  LYS  74           HB2      LYS  74 -28.628   9.743  -3.976
    4    HB3  LYS  74           HB3      LYS  74 -29.010   8.927  -5.493
    5    HG2  LYS  74           HG2      LYS  74 -28.750  11.898  -5.297
    6    HG3  LYS  74           HG3      LYS  74 -27.374  10.838  -5.598
    7    HD2  LYS  74           HD2      LYS  74 -28.489   9.904  -7.540
    8    HD3  LYS  74           HD3      LYS  74 -29.909  10.900  -7.223
    9    HE2  LYS  74           HE2      LYS  74 -28.687  12.907  -7.669
   10    HE3  LYS  74           HE3      LYS  74 -27.165  12.020  -7.757
   11    HZ2  LYS  74           HZ1      LYS  74 -28.635  12.616  -9.885
   12    HZ1  LYS  74           HZ2      LYS  74 -29.287  11.093  -9.509
   13    HZ3  LYS  74           HZ3      LYS  74 -27.623  11.255  -9.806

  No H/Q in entry =          13
  In of MODEL   64
    1    HA   PRO  75           HA       PRO  75 -32.554   7.047  -2.624
    2    HB2  PRO  75           HB2      PRO  75 -32.859   4.825  -4.202
    3    HB3  PRO  75           HB3      PRO  75 -33.987   6.179  -4.275
    4    HG2  PRO  75           HG2      PRO  75 -31.648   5.580  -6.043
    5    HG3  PRO  75           HG3      PRO  75 -33.296   6.015  -6.492
    6    HD2  PRO  75           HD2      PRO  75 -31.356   7.882  -6.451
    7    HD3  PRO  75           HD3      PRO  75 -32.989   8.281  -5.915

  No H/Q in entry =           7
  In of MODEL   64
    1    H    VAL  76           H        VAL  76 -31.101   5.996  -1.248
    2    HA   VAL  76           HA       VAL  76 -28.634   4.786  -2.351
    3    HB   VAL  76           HB       VAL  76 -28.925   6.258   0.304
    4   HG11  VAL  76          HG11      VAL  76 -26.567   4.970  -1.084
    5   HG13  VAL  76          HG12      VAL  76 -27.264   4.522   0.475
    6   HG12  VAL  76          HG13      VAL  76 -26.419   6.059   0.297
    7   HG22  VAL  76          HG21      VAL  76 -28.258   8.158  -0.587
    8   HG21  VAL  76          HG22      VAL  76 -28.799   7.458  -2.114
    9   HG23  VAL  76          HG23      VAL  76 -27.096   7.372  -1.657

  No H/Q in entry =           9
  In of MODEL   64
    1    H    GLU  77           H        GLU  77 -28.416   2.634  -1.733
    2    HA   GLU  77           HA       GLU  77 -29.203   1.851   0.922
    3    HB2  GLU  77           HB2      GLU  77 -30.809   0.201   0.393
    4    HB3  GLU  77           HB3      GLU  77 -31.359   1.723  -0.312
    5    HG2  GLU  77           HG2      GLU  77 -30.747   0.960  -2.497
    6    HG3  GLU  77           HG3      GLU  77 -30.104  -0.535  -1.821

  No H/Q in entry =           6
  In of MODEL   64
    1    H    VAL  78           H        VAL  78 -28.874  -0.234   1.586
    2    HA   VAL  78           HA       VAL  78 -26.208  -1.004   0.702
    3    HB   VAL  78           HB       VAL  78 -27.917  -1.886   3.068
    4   HG11  VAL  78          HG11      VAL  78 -25.575  -3.114   1.948
    5   HG13  VAL  78          HG12      VAL  78 -26.483  -3.582   3.387
    6   HG12  VAL  78          HG13      VAL  78 -25.165  -2.420   3.516
    7   HG22  VAL  78          HG21      VAL  78 -26.460  -0.518   4.405
    8   HG21  VAL  78          HG22      VAL  78 -27.196   0.448   3.126
    9   HG23  VAL  78          HG23      VAL  78 -25.518  -0.078   2.980

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ILE  79           H        ILE  79 -25.667  -2.914  -0.198
    2    HA   ILE  79           HA       ILE  79 -27.725  -4.398  -1.544
    3    HB   ILE  79           HB       ILE  79 -24.733  -4.920  -1.319
    4   HG12  ILE  79          HG12      ILE  79 -26.369  -3.823  -3.611
    5   HG13  ILE  79          HG13      ILE  79 -25.497  -2.810  -2.460
    6   HG22  ILE  79          HG21      ILE  79 -25.832  -6.107  -3.636
    7   HG21  ILE  79          HG22      ILE  79 -26.817  -6.626  -2.269
    8   HG23  ILE  79          HG23      ILE  79 -25.076  -6.903  -2.256
    9   HD13  ILE  79          HD11      ILE  79 -24.082  -2.926  -4.277
   10   HD12  ILE  79          HD12      ILE  79 -24.419  -4.636  -4.553
   11   HD11  ILE  79          HD13      ILE  79 -23.437  -4.142  -3.173

  No H/Q in entry =          11
  In of MODEL   64
    1    H    ASP  80           H        ASP  80 -28.587  -6.321  -0.957
    2    HA   ASP  80           HA       ASP  80 -28.536  -7.214   1.692
    3    HB2  ASP  80           HB2      ASP  80 -30.287  -7.796   0.051
    4    HB3  ASP  80           HB3      ASP  80 -29.127  -8.805  -0.814

  No H/Q in entry =           4
  In of MODEL   64
    1    H    SER  81           H        SER  81 -27.000  -8.344   2.826
    2    HA   SER  81           HA       SER  81 -24.501  -9.026   1.638
    3    HB2  SER  81           HB2      SER  81 -23.900  -9.950   3.796
    4    HB3  SER  81           HB3      SER  81 -24.769  -8.439   4.049
    5    HG   SER  81           HG       SER  81 -26.627  -9.641   4.484

  No H/Q in entry =           5
  In of MODEL   64
    1    H    LEU  82           H        LEU  82 -27.210 -11.120   1.963
    2    HA   LEU  82           HA       LEU  82 -25.659 -13.488   1.450
    3    HB2  LEU  82           HB2      LEU  82 -28.624 -12.950   1.122
    4    HB3  LEU  82           HB3      LEU  82 -27.870 -14.539   1.034
    5    HG   LEU  82           HG       LEU  82 -27.636 -12.759   3.480
    6   HD11  LEU  82          HD11      LEU  82 -30.042 -13.774   2.620
    7   HD13  LEU  82          HD12      LEU  82 -29.632 -13.490   4.307
    8   HD12  LEU  82          HD13      LEU  82 -29.451 -15.101   3.617
    9   HD23  LEU  82          HD21      LEU  82 -27.449 -15.775   3.361
   10   HD22  LEU  82          HD22      LEU  82 -26.846 -14.689   4.608
   11   HD21  LEU  82          HD23      LEU  82 -26.034 -14.778   3.057

  No H/Q in entry =          11
  In of MODEL   64
    1    H    LEU  83           H        LEU  83 -27.618 -11.270  -0.477
    2    HA   LEU  83           HA       LEU  83 -27.413 -12.635  -2.944
    3    HB2  LEU  83           HB2      LEU  83 -27.827  -9.726  -2.305
    4    HB3  LEU  83           HB3      LEU  83 -27.856 -10.375  -3.943
    5    HG   LEU  83           HG       LEU  83 -29.892 -10.759  -1.768
    6   HD13  LEU  83          HD11      LEU  83 -30.649  -8.915  -2.838
    7   HD12  LEU  83          HD12      LEU  83 -31.109 -10.032  -4.121
    8   HD11  LEU  83          HD13      LEU  83 -29.576  -9.165  -4.213
    9   HD23  LEU  83          HD21      LEU  83 -30.027 -12.025  -4.489
   10   HD22  LEU  83          HD22      LEU  83 -30.997 -12.371  -3.060
   11   HD21  LEU  83          HD23      LEU  83 -29.308 -12.873  -3.121

  No H/Q in entry =          11
  In of MODEL   64
    1    H    TYR  84           H        TYR  84 -25.463 -10.242  -1.272
    2    HA   TYR  84           HA       TYR  84 -23.600  -9.759  -3.403
    3    HB2  TYR  84           HB2      TYR  84 -23.987  -8.279  -1.289
    4    HB3  TYR  84           HB3      TYR  84 -22.994  -9.446  -0.454
    5    HD1  TYR  84           HD1      TYR  84 -22.961  -6.580  -2.675
    6    HD2  TYR  84           HD2      TYR  84 -20.676  -9.954  -1.326
    7    HE1  TYR  84           HE1      TYR  84 -20.902  -5.518  -3.530
    8    HE2  TYR  84           HE2      TYR  84 -18.611  -8.888  -2.182
    9    HH   TYR  84           HH       TYR  84 -18.087  -7.114  -4.044

  No H/Q in entry =           9
  In of MODEL   64
    1    H    GLY  85           H        GLY  85 -23.361 -11.753  -0.449
    2    HA3  GLY  85           HA2      GLY  85 -20.781 -12.694  -0.928
    3    HA2  GLY  85           HA3      GLY  85 -22.012 -13.540   0.011

  No H/Q in entry =           3
  In of MODEL   64
    1    H    LYS  86           H        LYS  86 -23.856 -13.921  -2.050
    2    HA   LYS  86           HA       LYS  86 -22.800 -16.297  -3.301
    3    HB2  LYS  86           HB2      LYS  86 -25.231 -15.604  -2.347
    4    HB3  LYS  86           HB3      LYS  86 -25.469 -15.224  -4.049
    5    HG2  LYS  86           HG2      LYS  86 -24.831 -17.490  -4.688
    6    HG3  LYS  86           HG3      LYS  86 -24.441 -17.882  -3.011
    7    HD2  LYS  86           HD2      LYS  86 -26.786 -17.469  -2.363
    8    HD3  LYS  86           HD3      LYS  86 -27.180 -17.079  -4.037
    9    HE2  LYS  86           HE2      LYS  86 -26.498 -19.357  -4.721
   10    HE3  LYS  86           HE3      LYS  86 -26.137 -19.745  -3.038
   11    HZ3  LYS  86           HZ1      LYS  86 -28.375 -19.556  -2.443
   12    HZ2  LYS  86           HZ2      LYS  86 -28.403 -20.412  -3.910
   13    HZ1  LYS  86           HZ3      LYS  86 -28.795 -18.759  -3.880

  No H/Q in entry =          13
  In of MODEL   64
    1    H    VAL  87           H        VAL  87 -22.791 -13.085  -4.205
    2    HA   VAL  87           HA       VAL  87 -22.491 -11.917  -6.149
    3    HB   VAL  87           HB       VAL  87 -21.480 -14.469  -7.411
    4   HG11  VAL  87          HG11      VAL  87 -21.616 -12.295  -8.688
    5   HG13  VAL  87          HG12      VAL  87 -19.988 -12.963  -8.573
    6   HG12  VAL  87          HG13      VAL  87 -20.464 -11.616  -7.538
    7   HG23  VAL  87          HG21      VAL  87 -19.255 -13.878  -6.352
    8   HG22  VAL  87          HG22      VAL  87 -20.465 -14.485  -5.221
    9   HG21  VAL  87          HG23      VAL  87 -20.127 -12.756  -5.307

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ASP  88           H        ASP  88 -25.007 -12.561  -5.798
    2    HA   ASP  88           HA       ASP  88 -26.125 -13.787  -8.192
    3    HB2  ASP  88           HB2      ASP  88 -27.122 -14.026  -5.868
    4    HB3  ASP  88           HB3      ASP  88 -27.577 -12.325  -5.973

  No H/Q in entry =           4
  In of MODEL   64
    1    H    GLY  89           H        GLY  89 -25.421 -12.533  -9.836
    2    HA3  GLY  89           HA2      GLY  89 -25.606  -9.762 -10.047
    3    HA2  GLY  89           HA3      GLY  89 -25.580 -10.887 -11.403

  No H/Q in entry =           3
  In of MODEL   64
    1    H    LEU  90           H        LEU  90 -28.024 -12.241 -10.952
    2    HA   LEU  90           HA       LEU  90 -29.839 -10.313 -12.072
    3    HB2  LEU  90           HB2      LEU  90 -29.899 -12.710 -12.645
    4    HB3  LEU  90           HB3      LEU  90 -30.404 -13.073 -10.994
    5    HG   LEU  90           HG       LEU  90 -32.526 -11.960 -11.362
    6   HD13  LEU  90          HD11      LEU  90 -32.348 -10.223 -12.843
    7   HD12  LEU  90          HD12      LEU  90 -32.885 -11.465 -13.976
    8   HD11  LEU  90          HD13      LEU  90 -31.172 -11.067 -13.853
    9   HD23  LEU  90          HD21      LEU  90 -32.452 -13.598 -13.792
   10   HD22  LEU  90          HD22      LEU  90 -33.432 -13.759 -12.335
   11   HD21  LEU  90          HD23      LEU  90 -31.776 -14.369 -12.357

  No H/Q in entry =          11
  In of MODEL   64
    1    H    GLY  91           H        GLY  91 -29.669 -11.803  -8.883
    2    HA3  GLY  91           HA2      GLY  91 -32.010 -10.691  -7.848
    3    HA2  GLY  91           HA3      GLY  91 -30.617 -11.218  -6.903

  No H/Q in entry =           3
  In of MODEL   64
    1    H    VAL  92           H        VAL  92 -28.702  -9.391  -7.766
    2    HA   VAL  92           HA       VAL  92 -29.498  -7.086  -6.224
    3    HB   VAL  92           HB       VAL  92 -26.950  -7.556  -7.818
    4   HG12  VAL  92          HG11      VAL  92 -27.119  -5.663  -5.497
    5   HG11  VAL  92          HG12      VAL  92 -27.785  -5.126  -7.041
    6   HG13  VAL  92          HG13      VAL  92 -26.089  -5.591  -6.928
    7   HG22  VAL  92          HG21      VAL  92 -26.725  -9.138  -6.220
    8   HG21  VAL  92          HG22      VAL  92 -27.871  -8.357  -5.130
    9   HG23  VAL  92          HG23      VAL  92 -26.219  -7.752  -5.252

  No H/Q in entry =           9
  In of MODEL   64
    1    H    LEU  93           H        LEU  93 -29.089  -7.759  -9.642
    2    HA   LEU  93           HA       LEU  93 -29.440  -5.127 -10.581
    3    HB2  LEU  93           HB2      LEU  93 -28.794  -6.985 -12.036
    4    HB3  LEU  93           HB3      LEU  93 -30.384  -7.715 -11.810
    5    HG   LEU  93           HG       LEU  93 -31.400  -5.759 -12.942
    6   HD11  LEU  93          HD11      LEU  93 -29.551  -4.157 -12.443
    7   HD13  LEU  93          HD12      LEU  93 -29.991  -4.194 -14.151
    8   HD12  LEU  93          HD13      LEU  93 -28.537  -5.023 -13.597
    9   HD23  LEU  93          HD21      LEU  93 -30.359  -6.331 -15.227
   10   HD22  LEU  93          HD22      LEU  93 -31.199  -7.586 -14.317
   11   HD21  LEU  93          HD23      LEU  93 -29.435  -7.527 -14.319

  No H/Q in entry =          11
  In of MODEL   64
    1    H    LYS  94           H        LYS  94 -31.810  -7.675  -9.723
    2    HA   LYS  94           HA       LYS  94 -34.157  -6.241 -10.352
    3    HB2  LYS  94           HB2      LYS  94 -33.639  -8.417  -8.333
    4    HB3  LYS  94           HB3      LYS  94 -35.237  -7.727  -8.603
    5    HG2  LYS  94           HG2      LYS  94 -35.149  -8.509 -10.935
    6    HG3  LYS  94           HG3      LYS  94 -33.587  -9.256 -10.605
    7    HD2  LYS  94           HD2      LYS  94 -34.705 -10.586  -8.775
    8    HD3  LYS  94           HD3      LYS  94 -36.249  -9.944  -9.332
    9    HE2  LYS  94           HE2      LYS  94 -35.732 -10.879 -11.596
   10    HE3  LYS  94           HE3      LYS  94 -34.316 -11.657 -10.890
   11    HZ3  LYS  94           HZ1      LYS  94 -36.162 -13.183 -11.055
   12    HZ2  LYS  94           HZ2      LYS  94 -37.137 -12.156 -10.117
   13    HZ1  LYS  94           HZ3      LYS  94 -35.777 -12.899  -9.426

  No H/Q in entry =          13
  In of MODEL   64
    1    H    ALA  95           H        ALA  95 -32.333  -6.347  -7.304
    2    HA   ALA  95           HA       ALA  95 -34.186  -4.766  -5.830
    3    HB2  ALA  95           HB1      ALA  95 -31.808  -6.135  -5.288
    4    HB3  ALA  95           HB2      ALA  95 -32.788  -5.228  -4.137
    5    HB1  ALA  95           HB3      ALA  95 -31.441  -4.441  -4.961

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA  96           H        ALA  96 -31.546  -3.914  -7.929
    2    HA   ALA  96           HA       ALA  96 -31.455  -1.149  -7.164
    3    HB2  ALA  96           HB1      ALA  96 -30.093  -0.928  -9.274
    4    HB3  ALA  96           HB2      ALA  96 -30.394  -2.637  -9.589
    5    HB1  ALA  96           HB3      ALA  96 -29.480  -2.151  -8.161

  No H/Q in entry =           5
  In of MODEL   64
    1    H    VAL  97           H        VAL  97 -32.984  -2.876  -9.845
    2    HA   VAL  97           HA       VAL  97 -34.056  -0.581 -11.108
    3    HB   VAL  97           HB       VAL  97 -34.862  -3.507 -11.141
    4   HG11  VAL  97          HG11      VAL  97 -36.658  -1.505 -11.634
    5   HG13  VAL  97          HG12      VAL  97 -36.715  -3.101 -12.384
    6   HG12  VAL  97          HG13      VAL  97 -35.963  -1.752 -13.237
    7   HG21  VAL  97          HG21      VAL  97 -33.586  -1.685 -13.182
    8   HG23  VAL  97          HG22      VAL  97 -34.037  -3.366 -13.466
    9   HG22  VAL  97          HG23      VAL  97 -32.789  -2.974 -12.282

  No H/Q in entry =           9
  In of MODEL   64
    1    H    ALA  98           H        ALA  98 -35.237  -2.753  -8.564
    2    HA   ALA  98           HA       ALA  98 -37.799  -1.605  -8.217
    3    HB1  ALA  98           HB1      ALA  98 -36.784  -3.800  -7.178
    4    HB3  ALA  98           HB2      ALA  98 -37.965  -2.875  -6.249
    5    HB2  ALA  98           HB3      ALA  98 -36.244  -2.724  -5.890

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA  99           H        ALA  99 -34.720  -0.801  -6.573
    2    HA   ALA  99           HA       ALA  99 -35.849   1.188  -4.916
    3    HB1  ALA  99           HB1      ALA  99 -33.201   0.296  -5.661
    4    HB2  ALA  99           HB2      ALA  99 -33.750   1.051  -4.165
    5    HB3  ALA  99           HB3      ALA  99 -33.275   2.053  -5.535

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ILE 100           H        ILE 100 -34.810   1.309  -8.272
    2    HA   ILE 100           HA       ILE 100 -34.987   4.157  -8.499
    3    HB   ILE 100           HB       ILE 100 -35.084   1.997 -10.632
    4   HG12  ILE 100          HG12      ILE 100 -32.918   3.990  -9.967
    5   HG13  ILE 100          HG13      ILE 100 -32.956   2.344  -9.332
    6   HG21  ILE 100          HG21      ILE 100 -35.505   4.917 -10.770
    7   HG23  ILE 100          HG22      ILE 100 -36.012   3.645 -11.883
    8   HG22  ILE 100          HG23      ILE 100 -34.359   4.260 -11.940
    9   HD12  ILE 100          HD11      ILE 100 -32.424   3.295 -12.109
   10   HD11  ILE 100          HD12      ILE 100 -33.086   1.681 -11.850
   11   HD13  ILE 100          HD13      ILE 100 -31.538   2.125 -11.131

  No H/Q in entry =          11
  In of MODEL   64
    1    H    LYS 101           H        LYS 101 -37.282   1.548  -9.218
    2    HA   LYS 101           HA       LYS 101 -39.363   3.196 -10.221
    3    HB2  LYS 101           HB2      LYS 101 -39.249   0.424  -9.087
    4    HB3  LYS 101           HB3      LYS 101 -40.800   1.186  -9.435
    5    HG2  LYS 101           HG2      LYS 101 -40.326   1.315 -11.732
    6    HG3  LYS 101           HG3      LYS 101 -38.631   0.909 -11.477
    7    HD2  LYS 101           HD2      LYS 101 -39.882  -1.000 -12.358
    8    HD3  LYS 101           HD3      LYS 101 -39.255  -1.327 -10.742
    9    HE2  LYS 101           HE2      LYS 101 -41.319  -2.019 -10.234
   10    HE3  LYS 101           HE3      LYS 101 -41.773  -0.314 -10.241
   11    HZ3  LYS 101           HZ1      LYS 101 -42.665  -0.475 -12.358
   12    HZ2  LYS 101           HZ2      LYS 101 -43.128  -1.947 -11.647
   13    HZ1  LYS 101           HZ3      LYS 101 -41.821  -1.903 -12.731

  No H/Q in entry =          13
  In of MODEL   64
    1    H    LYS 102           H        LYS 102 -38.872   1.725  -7.010
    2    HA   LYS 102           HA       LYS 102 -41.118   2.925  -5.814
    3    HB2  LYS 102           HB2      LYS 102 -39.883   1.059  -4.795
    4    HB3  LYS 102           HB3      LYS 102 -38.491   2.114  -4.554
    5    HG2  LYS 102           HG2      LYS 102 -39.807   3.512  -3.060
    6    HG3  LYS 102           HG3      LYS 102 -41.202   2.462  -3.303
    7    HD2  LYS 102           HD2      LYS 102 -39.977   0.597  -2.273
    8    HD3  LYS 102           HD3      LYS 102 -38.583   1.650  -2.028
    9    HE2  LYS 102           HE2      LYS 102 -39.936   3.131  -0.623
   10    HE3  LYS 102           HE3      LYS 102 -41.348   2.110  -0.889
   11    HZ1  LYS 102           HZ1      LYS 102 -39.629   0.356   0.118
   12    HZ3  LYS 102           HZ2      LYS 102 -40.739   1.244   1.047
   13    HZ2  LYS 102           HZ3      LYS 102 -39.128   1.767   0.919

  No H/Q in entry =          13
  In of MODEL   64
    1    H    ALA 103           H        ALA 103 -38.163   4.312  -6.829
    2    HA   ALA 103           HA       ALA 103 -38.384   6.630  -5.052
    3    HB2  ALA 103           HB1      ALA 103 -36.391   7.360  -6.629
    4    HB3  ALA 103           HB2      ALA 103 -36.358   5.641  -7.024
    5    HB1  ALA 103           HB3      ALA 103 -36.131   6.167  -5.356

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA 104           H        ALA 104 -39.005   5.894  -8.397
    2    HA   ALA 104           HA       ALA 104 -39.587   8.677  -9.024
    3    HB2  ALA 104           HB1      ALA 104 -39.631   8.005 -11.225
    4    HB1  ALA 104           HB2      ALA 104 -40.360   6.445 -10.844
    5    HB3  ALA 104           HB3      ALA 104 -38.636   6.707 -10.565

  No H/Q in entry =           5
  In of MODEL   64
    1    H    ALA 105           H        ALA 105 -41.198   6.577  -7.216
    2    HA   ALA 105           HA       ALA 105 -43.622   7.973  -7.192
    3    HB2  ALA 105           HB1      ALA 105 -44.367   7.110  -9.229
    4    HB3  ALA 105           HB2      ALA 105 -45.004   5.925  -8.090
    5    HB1  ALA 105           HB3      ALA 105 -43.534   5.573  -8.998

  No H/Q in entry =           5